[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H29N3O4/c1-17-9-10-20(15-18(17)2)23(29)25-16-22(28)31-19(3)24(30)27-13-11-26(12-14-27)21-7-5-4-6-8-21/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,29)/t19-/m1/s1