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

Systemtic Name: ethyl (2R)-2-[(3S)-3-(2-methylpropyl)-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-[(3S)-3-isobutyl-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[(3S)-3-(2-methylpropyl)-2-oxo-1-piperazinyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2R)-2-[(3S)-3-isobutyl-2-keto-piperazino]-3-phenyl-propionic acid ethyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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