4-[3-(1H-indol-3-yl)propylamino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[3-(1H-indol-3-yl)propylamino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[3-(1H-indol-3-yl)propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-(1H-indol-3-yl)propylamino]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[3-(1H-indol-3-yl)propylamino]-4-oxobutanoic acid Traditional Name: 2-benzyl-4-[3-(1H-indol-3-yl)propylamino]-4-keto-butyric acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NCCCC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)NCCCC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H24N2O3/c25-21(14-18(22(26)27)13-16-7-2-1-3-8-16)23-12-6-9-17-15-24-20-11-5-4-10-19(17)20/h1-5,7-8,10-11,15,18,24H,6,9,12-14H2,(H,23,25)(H,26,27)