3-phenylpropyl 4-oxidanylidene-4-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]butanoate Openeye Name: 3-phenylpropyl 4-[2-(benzylcarbamoyl)anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[2-[oxo-[(phenylmethyl)amino]methyl]anilino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(benzylcarbamoyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(benzylcarbamoyl)anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4/c30-25(17-18-26(31)33-19-9-14-21-10-3-1-4-11-21)29-24-16-8-7-15-23(24)27(32)28-20-22-12-5-2-6-13-22/h1-8,10-13,15-16H,9,14,17-20H2,(H,28,32)(H,29,30)