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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(propylamino)ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C(=CC1=C(N(C(=C1)C)C2CCCCC2)C)C#N

Isomeric SMILES

CCCNC(=O)COC(=O)/C(=C/C1=C(N(C(=C1)C)C2CCCCC2)C)/C#N

InChI

InChI=1S/C21H29N3O3/c1-4-10-23-20(25)14-27-21(26)18(13-22)12-17-11-15(2)24(16(17)3)19-8-6-5-7-9-19/h11-12,19H,4-10,14H2,1-3H3,(H,23,25)/b18-12+