indol-1-yl 2-[[[3-(2-methylpropyl)phenyl]amino]methyl]-2-(phenylcarbonyl)butanoate

Systemtic Name: indol-1-yl 2-[[[3-(2-methylpropyl)phenyl]amino]methyl]-2-(phenylcarbonyl)butanoate Openeye Name: indol-1-yl 2-benzoyl-2-[(3-isobutylanilino)methyl]butanoate CAS Name: 2-benzoyl-2-[[3-(2-methylpropyl)anilino]methyl]butanoic acid 1-indolyl ester IUPAC Name: indol-1-yl 2-benzoyl-2-[[3-(2-methylpropyl)anilino]methyl]butanoate Traditional Name: 2-benzoyl-2-[(3-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=CC(=C1)CC(C)C)(C(=O)C2=CC=CC=C2)C(=O)ON3C=CC4=CC=CC=C43

Isomeric SMILES

CCC(CNC1=CC=CC(=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)25-13-6-5-7-14-25,21-31-26-15-10-11-23(20-26)19-22(2)3)29(34)35-32-18-17-24-12-8-9-16-27(24)32/h5-18,20,22,31H,4,19,21H2,1-3H3