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

Systemtic Name: ethyl (2S)-4-methyl-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]pentanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-4-24-19(23)17(12-14(2)3)21-11-10-20-16(18(21)22)13-15-8-6-5-7-9-15/h5-9,14,16-17,20H,4,10-13H2,1-3H3/t16-,17-/m0/s1