indol-1-yl 3-cyano-2-[[4-(2-methylpropyl)phenyl]methylamino]-2-(phenylcarbonyl)butanoate

Systemtic Name: indol-1-yl 3-cyano-2-[[4-(2-methylpropyl)phenyl]methylamino]-2-(phenylcarbonyl)butanoate Openeye Name: indol-1-yl 2-benzoyl-3-cyano-2-[(4-isobutylphenyl)methylamino]butanoate CAS Name: 2-benzoyl-3-cyano-2-[[4-(2-methylpropyl)phenyl]methylamino]butanoic acid 1-indolyl ester IUPAC Name: indol-1-yl 2-benzoyl-3-cyano-2-[[4-(2-methylpropyl)phenyl]methylamino]butanoate Traditional Name: 2-benzoyl-3-cyano-2-[(4-isobutylbenzyl)amino]butyric acid indol-1-yl ester Formula: C31H31N3O3 MolecularWeight: 493.59614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CNC(C(C)C#N)(C(=O)C2=CC=CC=C2)C(=O)ON3C=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CNC(C(C)C#N)(C(=O)C2=CC=CC=C2)C(=O)ON3C=CC4=CC=CC=C43

InChI

InChI=1S/C31H31N3O3/c1-22(2)19-24-13-15-25(16-14-24)21-33-31(23(3)20-32,29(35)27-10-5-4-6-11-27)30(36)37-34-18-17-26-9-7-8-12-28(26)34/h4-18,22-23,33H,19,21H2,1-3H3