[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H23BrN2O4/c1-17-6-8-18(9-7-17)25(31)16-34-27(33)24(30-26(32)19-10-12-21(28)13-11-19)14-20-15-29-23-5-3-2-4-22(20)23/h2-13,15,24,29H,14,16H2,1H3,(H,30,32)