ethyl 5-[[(3-chlorophenyl)carbonyl-cyclohexyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(3-chlorophenyl)carbonyl-cyclohexyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(3-chlorobenzoyl)-cyclohexyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(3-chlorophenyl)-oxomethyl]-cyclohexylamino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3-chlorobenzoyl)-cyclohexylamino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(3-chlorobenzoyl)-cyclohexyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(C2CCCCC2)C(=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(C2CCCCC2)C(=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C23H29ClN2O3/c1-4-29-23(28)21-15(2)20(25-16(21)3)14-26(19-11-6-5-7-12-19)22(27)17-9-8-10-18(24)13-17/h8-10,13,19,25H,4-7,11-12,14H2,1-3H3