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

Systemtic Name: (diphenylmethyl) (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: benzhydryl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid benzhydryl ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O2/c1-19(2)18-29-20(3)15-24(21(29)4)16-25(17-28)27(30)31-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19,26H,18H2,1-4H3/b25-16+