[2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-5-23(12-15-7-8-18(28-6-2)19(9-15)27-4)20(25)13-29-21(26)17-10-16(11-22-17)14(3)24/h7-11,22H,5-6,12-13H2,1-4H3