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

Systemtic Name: naphthalen-1-ylmethyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: 1-naphthylmethyl (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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl (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 1-naphthylmethyl ester Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H28N2O2/c1-18(2)12-13-28-19(3)14-23(20(28)4)15-24(16-27)26(29)30-17-22-10-7-9-21-8-5-6-11-25(21)22/h5-11,14-15,18H,12-13,17H2,1-4H3/b24-15+