[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O5/c1-2-11-29-19-9-7-18(8-10-19)25-13-15(12-21(25)27)22(28)30-14-20(26)24-17-5-3-16(23)4-6-17/h3-10,15H,2,11-14H2,1H3,(H,24,26)/t15-/m0/s1