[(7-cyano-7,7-diphenyl-heptanoyl)amino] benzoate

Systemtic Name: [(7-cyano-7,7-diphenyl-heptanoyl)amino] benzoate Openeye Name: [(7-cyano-7,7-diphenyl-heptanoyl)amino] benzoate CAS Name: benzoic acid [(7-cyano-1-oxo-7,7-diphenylheptyl)amino] ester IUPAC Name: [(7-cyano-7,7-diphenylheptanoyl)amino] benzoate Traditional Name: benzoic acid [(7-cyano-7,7-diphenyl-heptanoyl)amino] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O3/c28-21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)20-12-4-11-19-25(30)29-32-26(31)22-13-5-1-6-14-22/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,29,30)