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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-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-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(=CC1=C(N(C(=C1)C)C2CCCCC2)C)C#N

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)/C(=C/C1=C(N(C(=C1)C)C2CCCCC2)C)/C#N

InChI

InChI=1S/C23H33N3O3/c1-5-20(6-2)25-22(27)15-29-23(28)19(14-24)13-18-12-16(3)26(17(18)4)21-10-8-7-9-11-21/h12-13,20-21H,5-11,15H2,1-4H3,(H,25,27)/b19-13+