1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-[(triphenylmethyl)amino]cycloheptan-1-ol

Systemtic Name: 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-[(triphenylmethyl)amino]cycloheptan-1-ol Openeye Name: 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-(tritylamino)cycloheptanol CAS Name: 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-[(triphenylmethyl)amino]-1-cycloheptanol IUPAC Name: 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-(tritylamino)cycloheptan-1-ol Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)benzyl]oxy-2-(tritylamino)cycloheptanol Formula: C40H38N2O3 MolecularWeight: 594.74132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)(O)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCC(C(CC1)(O)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H38N2O3/c43-39(44-29-30-24-26-31(27-25-30)38-41-35-21-12-13-22-36(35)45-38)28-14-4-11-23-37(39)42-40(32-15-5-1-6-16-32,33-17-7-2-8-18-33)34-19-9-3-10-20-34/h1-3,5-10,12-13,15-22,24-27,37,42-43H,4,11,14,23,28-29H2