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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClN3O4/c1-17(2)22(26-23(30)18-8-10-19(25)11-9-18)24(31)32-16-21(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,17,22H,12-16H2,1-2H3,(H,26,30)/t22-/m0/s1