[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H27NO4/c1-17-6-5-7-21(14-17)25(28)30-16-24(27)23-15-18(2)26(19(23)3)13-12-20-8-10-22(29-4)11-9-20/h5-11,14-15H,12-13,16H2,1-4H3