ethyl (E)-8-[4-methanoyl-3-oxidanylidene-1-(phenylmethyl)piperazin-2-yl]oct-2-enoate

Systemtic Name: ethyl (E)-8-[4-methanoyl-3-oxidanylidene-1-(phenylmethyl)piperazin-2-yl]oct-2-enoate Openeye Name: ethyl (E)-8-(1-benzyl-4-formyl-3-oxo-piperazin-2-yl)oct-2-enoate CAS Name: (E)-8-[4-formyl-3-oxo-1-(phenylmethyl)-2-piperazinyl]-2-octenoic acid ethyl ester IUPAC Name: ethyl (E)-8-(1-benzyl-4-formyl-3-oxopiperazin-2-yl)oct-2-enoate Traditional Name: (E)-8-(1-benzyl-4-formyl-3-keto-piperazin-2-yl)oct-2-enoic acid ethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCCCC1C(=O)N(CCN1CC2=CC=CC=C2)C=O

Isomeric SMILES

CCOC(=O)/C=C/CCCCCC1C(=O)N(CCN1CC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H30N2O4/c1-2-28-21(26)14-10-5-3-4-9-13-20-22(27)24(18-25)16-15-23(20)17-19-11-7-6-8-12-19/h6-8,10-12,14,18,20H,2-5,9,13,15-17H2,1H3/b14-10+