[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-1-[(3,4-dimethoxyphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-1-[(3,4-dimethoxyphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (3S)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (3S)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(veratroylamino)pyrrolidine-3-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H21BrN2O7 MolecularWeight: 505.31534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H21BrN2O7/c1-30-18-8-5-14(9-19(18)31-2)21(28)24-25-11-15(10-20(25)27)22(29)32-12-17(26)13-3-6-16(23)7-4-13/h3-9,15H,10-12H2,1-2H3,(H,24,28)/t15-/m0/s1