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

Systemtic Name: ethyl 5-[3-[(4-ethylphenyl)methylamino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-[(4-ethylphenyl)methylamino]-3-oxo-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[3-[(4-ethylphenyl)methylamino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[(4-ethylphenyl)methylamino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-[(4-ethylbenzyl)amino]-3-keto-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)CCC2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)CCC2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O3/c1-5-16-7-9-17(10-8-16)13-22-19(24)12-11-18-14(3)20(15(4)23-18)21(25)26-6-2/h7-10,23H,5-6,11-13H2,1-4H3,(H,22,24)