[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C=CC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C26H27NO4/c1-19-17-23(20(2)27(19)16-15-21-9-5-4-6-10-21)24(28)18-31-26(29)14-13-22-11-7-8-12-25(22)30-3/h4-14,17H,15-16,18H2,1-3H3/b14-13+