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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-14-11-18(15(2)24(14)17-6-7-17)22(26)29-13-21(25)23-10-9-16-5-8-19(27-3)20(12-16)28-4/h5,8,11-12,17H,6-7,9-10,13H2,1-4H3,(H,23,25)