2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-(4-methoxy-3-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-(4-methoxy-3-oxidanyl-phenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(3-hydroxy-4-methoxy-phenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-cyclohexyl-2-(3-hydroxy-4-methoxyphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(3-hydroxy-4-methoxyphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-piperonyl-amino]-N-cyclohexyl-2-(3-hydroxy-4-methoxy-phenyl)acetamide Formula: C31H33N5O6 MolecularWeight: 571.62362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5)O

InChI

InChI=1S/C31H33N5O6/c1-40-26-14-12-21(16-25(26)37)30(31(39)32-22-7-3-2-4-8-22)35(17-20-11-13-27-28(15-20)42-19-41-27)29(38)18-36-24-10-6-5-9-23(24)33-34-36/h5-6,9-16,22,30,37H,2-4,7-8,17-19H2,1H3,(H,32,39)