methyl 3-[[1-(3-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(3-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(3-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(3-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(3-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-28-20(26)12-18(14-6-3-2-4-7-14)23-21(27)15-10-19(25)24(13-15)17-9-5-8-16(22)11-17/h2-9,11,15,18H,10,12-13H2,1H3,(H,23,27)