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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-6-8-14(3)22-19(24)13-26-20(25)18(12-21)11-17-10-15(4)23(9-7-2)16(17)5/h10-11,14H,6-9,13H2,1-5H3,(H,22,24)/b18-11+