ethyl 4-[(3S)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidanylidene-pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3S)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidanylidene-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[[2-(4-methyl-1-piperazinyl)phenyl]methyl]-2-oxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2-keto-3-[2-(4-methylpiperazino)benzyl]pyrrolidino]benzoic acid ethyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCC(C2=O)CC3=CC=CC=C3N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC[C@@H](C2=O)CC3=CC=CC=C3N4CCN(CC4)C

InChI

InChI=1S/C25H31N3O3/c1-3-31-25(30)19-8-10-22(11-9-19)28-13-12-21(24(28)29)18-20-6-4-5-7-23(20)27-16-14-26(2)15-17-27/h4-11,21H,3,12-18H2,1-2H3/t21-/m1/s1