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

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C26H29NO4/c1-5-20-6-10-22(11-7-20)26(29)31-17-25(28)24-16-18(2)27(19(24)3)15-14-21-8-12-23(30-4)13-9-21/h6-13,16H,5,14-15,17H2,1-4H3