[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)N2CCCCCCC2)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)N2CCCCCCC2)C

InChI

InChI=1S/C23H33N3O3/c1-4-5-13-26-18(2)14-20(19(26)3)15-21(16-24)23(28)29-17-22(27)25-11-9-7-6-8-10-12-25/h14-15H,4-13,17H2,1-3H3/b21-15+