6-[(2Z)-5-(2-methoxyphenyl)-2-[(2E)-2-[[3-[6-oxidanylidene-6-(phenylcarbamoylamino)hexyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]-N-(phenylcarbamoyl)hexanamide

Systemtic Name: 6-[(2Z)-5-(2-methoxyphenyl)-2-[(2E)-2-[[3-[6-oxidanylidene-6-(phenylcarbamoylamino)hexyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]-N-(phenylcarbamoyl)hexanamide Openeye Name: 6-[(2Z)-5-(2-methoxyphenyl)-2-[(2E)-2-[[3-[6-oxo-6-(phenylcarbamoylamino)hexyl]benzofuro[3,2-f][1,3]benzoxazol-3-ium-2-yl]methylene]butylidene]-1,3-benzoxazol-3-yl]-N-(phenylcarbamoyl)hexanamide CAS Name: N-[anilino(oxo)methyl]-6-[(2Z)-2-[(2E)-2-[[3-[6-[[anilino(oxo)methyl]amino]-6-oxohexyl]-2-benzofuro[3,2-f][1,3]benzoxazol-3-iumyl]methylidene]butylidene]-5-(2-methoxyphenyl)-1,3-benzoxazol-3-yl]hexanamide IUPAC Name: 6-[(2Z)-5-(2-methoxyphenyl)-2-[(2E)-2-[[3-[6-oxo-6-(phenylcarbamoylamino)hexyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]-N-(phenylcarbamoyl)hexanamide Traditional Name: 6-[(2Z)-2-[(E)-2-ethyl-3-[3-[6-keto-6-(phenylcarbamoylamino)hexyl]benzofuro[3,2-f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-(2-methoxyphenyl)-1,3-benzoxazol-3-yl]-N-(phenylcarbamoyl)hexanamide Formula: C58H57N6O8+ MolecularWeight: 966.10858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4O3)CCCCCC(=O)NC(=O)NC5=CC=CC=C5)C=C6N(C7=C(O6)C=CC(=C7)C8=CC=CC=C8OC)CCCCCC(=O)NC(=O)NC9=CC=CC=C9

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4O3)CCCCCC(=O)NC(=O)NC5=CC=CC=C5)/C=C\6/N(C7=C(O6)C=CC(=C7)C8=CC=CC=C8OC)CCCCCC(=O)NC(=O)NC9=CC=CC=C9

InChI

InChI=1S/C58H56N6O8/c1-3-39(34-55-63(32-18-6-12-28-53(65)61-57(67)59-41-20-8-4-9-21-41)46-36-40(30-31-50(46)71-55)43-24-14-16-26-48(43)69-2)35-56-64(33-19-7-13-29-54(66)62-58(68)60-42-22-10-5-11-23-42)47-37-45-44-25-15-17-27-49(44)70-51(45)38-52(47)72-56/h4-5,8-11,14-17,20-27,30-31,34-38H,3,6-7,12-13,18-19,28-29,32-33H2,1-2H3,(H3-,59,60,61,62,65,66,67,68)/p+1