ethyl 4-[3-[(4-ethoxyphenyl)methylamino]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[3-[(4-ethoxyphenyl)methylamino]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[3-[(4-ethoxyphenyl)methylamino]-3-oxo-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[3-[(4-ethoxyphenyl)methylamino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-ethoxyphenyl)methylamino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-[(4-ethoxybenzyl)amino]-3-keto-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CCC2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CCC2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O4/c1-5-26-17-9-7-16(8-10-17)13-22-19(24)12-11-18-14(3)20(23-15(18)4)21(25)27-6-2/h7-10,23H,5-6,11-13H2,1-4H3,(H,22,24)