ethyl (E)-6-[4-methanoyl-3-oxidanylidene-1-(phenylmethyl)piperazin-2-yl]-2-methyl-hex-2-enoate

Systemtic Name: ethyl (E)-6-[4-methanoyl-3-oxidanylidene-1-(phenylmethyl)piperazin-2-yl]-2-methyl-hex-2-enoate Openeye Name: ethyl (E)-6-(1-benzyl-4-formyl-3-oxo-piperazin-2-yl)-2-methyl-hex-2-enoate CAS Name: (E)-6-[4-formyl-3-oxo-1-(phenylmethyl)-2-piperazinyl]-2-methyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-(1-benzyl-4-formyl-3-oxopiperazin-2-yl)-2-methylhex-2-enoate Traditional Name: (E)-6-(1-benzyl-4-formyl-3-keto-piperazin-2-yl)-2-methyl-hex-2-enoic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCCCC1C(=O)N(CCN1CC2=CC=CC=C2)C=O)C

Isomeric SMILES

CCOC(=O)/C(=C/CCCC1C(=O)N(CCN1CC2=CC=CC=C2)C=O)/C

InChI

InChI=1S/C21H28N2O4/c1-3-27-21(26)17(2)9-7-8-12-19-20(25)23(16-24)14-13-22(19)15-18-10-5-4-6-11-18/h4-6,9-11,16,19H,3,7-8,12-15H2,1-2H3/b17-9+