O4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl] O1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (Z)-but-2-enedioate

Systemtic Name: O4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl] O1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (Z)-but-2-enedioate Openeye Name: O4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl] O1-[(E)-3-(3,4,5-trimethoxyphenyl)allyl] (Z)-but-2-enedioate CAS Name: (Z)-2-butenedioic acid O4-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl] ester O1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] ester IUPAC Name: 4-O-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl] 1-O-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (Z)-but-2-enedioate Traditional Name: (Z)-but-2-enedioic acid O4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino] ester O1-[(E)-3-(3,4,5-trimethoxyphenyl)allyl] ester Formula: C28H39N3O8 MolecularWeight: 545.62456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CCOC(=O)C=CC(=O)ON2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/COC(=O)/C=C\C(=O)ON2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C28H39N3O8/c1-35-23-19-22(20-24(36-2)28(23)37-3)9-8-18-38-26(33)10-11-27(34)39-31-16-14-29(15-17-31)21-25(32)30-12-6-4-5-7-13-30/h8-11,19-20H,4-7,12-18,21H2,1-3H3/b9-8+,11-10-