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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-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-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C28H25BrN2O4 MolecularWeight: 533.4131

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=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/C28H25BrN2O4/c1-2-18-7-9-19(10-8-18)26(32)17-35-28(34)25(31-27(33)20-11-13-22(29)14-12-20)15-21-16-30-24-6-4-3-5-23(21)24/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,33)