[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O5/c1-17-14-21(18(2)27(17)20-8-6-5-7-9-20)25(29)32-16-24(28)26-13-12-19-10-11-22(30-3)23(15-19)31-4/h5-11,14-15H,12-13,16H2,1-4H3,(H,26,28)