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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C30H29BrN2O4 MolecularWeight: 561.46626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29BrN2O4/c1-30(2,3)22-12-8-20(9-13-22)28(35)33-26(16-21-17-32-25-7-5-4-6-24(21)25)29(36)37-18-27(34)19-10-14-23(31)15-11-19/h4-15,17,26,32H,16,18H2,1-3H3,(H,33,35)