propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid isopropyl ester Formula: C18H26N2O2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OC(C)C

InChI

InChI=1S/C18H26N2O2/c1-12(2)7-8-20-14(5)9-16(15(20)6)10-17(11-19)18(21)22-13(3)4/h9-10,12-13H,7-8H2,1-6H3/b17-10+