phenacyl (2S)-2-[(4-bromophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: phenacyl (2S)-2-[(4-bromophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: phenacyl (2S)-2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid phenacyl ester Formula: C26H21BrN2O4 MolecularWeight: 505.35994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H21BrN2O4/c27-20-12-10-18(11-13-20)25(31)29-23(14-19-15-28-22-9-5-4-8-21(19)22)26(32)33-16-24(30)17-6-2-1-3-7-17/h1-13,15,23,28H,14,16H2,(H,29,31)/t23-/m0/s1