5-chloranyl-3-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-1H-indole-2-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/c1-13(7-8-14-5-3-2-4-6-14)23-19(25)12-17-16-11-15(22)9-10-18(16)24-20(17)21(26)27/h2-6,9-11,13,24H,7-8,12H2,1H3,(H,23,25)(H,26,27)