[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C18H22N2O5/c1-4-20(11-13-7-8-15(23-2)16(10-13)24-3)17(21)12-25-18(22)14-6-5-9-19-14/h5-10,19H,4,11-12H2,1-3H3