[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C22H29N3O3/c1-16-13-18(17(2)25(16)19-8-9-19)7-10-21(27)28-14-20(26)24(3)22(15-23)11-5-4-6-12-22/h7,10,13,19H,4-6,8-9,11-12,14H2,1-3H3/b10-7+