[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C25H37N3O3/c1-18(2)12-13-28-19(3)14-21(20(28)4)15-22(16-26)25(30)31-17-24(29)27-23-10-8-6-5-7-9-11-23/h14-15,18,23H,5-13,17H2,1-4H3,(H,27,29)