[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)N3C=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-17-6-8-19(15-20(17)26-12-4-5-13-26)24(28)31-16-23(27)25-11-10-18-7-9-21(29-2)22(14-18)30-3/h4-9,12-15H,10-11,16H2,1-3H3,(H,25,27)