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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-7-19(8-2)23-20(25)13-27-21(26)18(11-22)10-17-9-15(5)24(16(17)6)12-14(3)4/h9-10,14,19H,7-8,12-13H2,1-6H3,(H,23,25)