[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O4/c1-12-8-17(13(2)23(12)16-6-7-16)18(24)11-27-19(25)10-22-20(26)14-4-3-5-15(21)9-14/h3-5,8-9,16H,6-7,10-11H2,1-2H3,(H,22,26)