[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C26H29ClN2O4/c1-5-6-7-19-8-11-21(12-9-19)28-25(30)16-33-26(31)22-14-17(2)29(18(22)3)23-15-20(27)10-13-24(23)32-4/h8-15H,5-7,16H2,1-4H3,(H,28,30)