[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-18(2)23(26-24(30)21-12-8-7-9-19(21)3)25(31)32-17-22(29)28-15-13-27(14-16-28)20-10-5-4-6-11-20/h4-12,18,23H,13-17H2,1-3H3,(H,26,30)/t23-/m0/s1