methyl (2S)-4-methyl-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]pentanoate Openeye Name: methyl (2S)-2-[(3S)-3-benzyl-2-oxo-piperazin-1-yl]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[(3S)-2-oxo-3-(phenylmethyl)-1-piperazinyl]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]-4-methylpentanoate Traditional Name: (2S)-2-[(3S)-3-benzyl-2-keto-piperazino]-4-methyl-valeric acid methyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1CCNC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N1CCN[C@H](C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-13(2)11-16(18(22)23-3)20-10-9-19-15(17(20)21)12-14-7-5-4-6-8-14/h4-8,13,15-16,19H,9-12H2,1-3H3/t15-,16-/m0/s1