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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-18(2)22(25-23(29)19-9-5-3-6-10-19)24(30)31-17-21(28)27-15-13-26(14-16-27)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,25,29)/t22-/m0/s1