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

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic 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] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C25H25NO5/c1-17-14-23(18(2)26(17)13-12-19-6-10-22(30-3)11-7-19)24(28)16-31-25(29)21-8-4-20(15-27)5-9-21/h4-11,14-15H,12-13,16H2,1-3H3