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

Systemtic Name: methyl (2S)-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3S)-3-benzyl-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3S)-2-oxo-3-(phenylmethyl)-1-piperazinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3S)-3-benzyl-2-keto-piperazino]-3-phenyl-propionic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2CCNC(C2=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N2CCN[C@H](C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)19(15-17-10-6-3-7-11-17)23-13-12-22-18(20(23)24)14-16-8-4-2-5-9-16/h2-11,18-19,22H,12-15H2,1H3/t18-,19-/m0/s1