indol-1-yl 2-[[[4-(2-methylpropyl)phenyl]amino]methyl]-2-(phenylcarbonyl)butanoate

Systemtic Name: indol-1-yl 2-[[[4-(2-methylpropyl)phenyl]amino]methyl]-2-(phenylcarbonyl)butanoate Openeye Name: indol-1-yl 2-benzoyl-2-[(4-isobutylanilino)methyl]butanoate CAS Name: 2-benzoyl-2-[[4-(2-methylpropyl)anilino]methyl]butanoic acid 1-indolyl ester IUPAC Name: indol-1-yl 2-benzoyl-2-[[4-(2-methylpropyl)anilino]methyl]butanoate Traditional Name: 2-benzoyl-2-[(4-isobutylanilino)methyl]butyric acid indol-1-yl ester Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC=C(C=C1)CC(C)C)(C(=O)C2=CC=CC=C2)C(=O)ON3C=CC4=CC=CC=C43

Isomeric SMILES

CCC(CNC1=CC=C(C=C1)CC(C)C)(C(=O)C2=CC=CC=C2)C(=O)ON3C=CC4=CC=CC=C43

InChI

InChI=1S/C30H32N2O3/c1-4-30(28(33)25-11-6-5-7-12-25,21-31-26-16-14-23(15-17-26)20-22(2)3)29(34)35-32-19-18-24-10-8-9-13-27(24)32/h5-19,22,31H,4,20-21H2,1-3H3