ethyl (2S)-2-[(3S)-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(3S)-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(3S)-3-methyl-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3S)-3-methyl-2-oxo-1-piperazinyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3S)-2-keto-3-methyl-piperazino]-3-phenyl-propionic acid ethyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2CCNC(C2=O)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N2CCN[C@H](C2=O)C

InChI

InChI=1S/C16H22N2O3/c1-3-21-16(20)14(11-13-7-5-4-6-8-13)18-10-9-17-12(2)15(18)19/h4-8,12,14,17H,3,9-11H2,1-2H3/t12-,14-/m0/s1