tert-butyl 2-[(3-chlorophenyl)carbonylamino]-1-cyclohexyl-4,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2-[(3-chlorophenyl)carbonylamino]-1-cyclohexyl-4,5-dimethyl-pyrrole-3-carboxylate Openeye Name: tert-butyl 2-[(3-chlorobenzoyl)amino]-1-cyclohexyl-4,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-1-cyclohexyl-4,5-dimethyl-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-chlorobenzoyl)amino]-1-cyclohexyl-4,5-dimethylpyrrole-3-carboxylate Traditional Name: 2-[(3-chlorobenzoyl)amino]-1-cyclohexyl-4,5-dimethyl-pyrrole-3-carboxylic acid tert-butyl ester Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Cl)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Cl)C3CCCCC3)C

InChI

InChI=1S/C24H31ClN2O3/c1-15-16(2)27(19-12-7-6-8-13-19)21(20(15)23(29)30-24(3,4)5)26-22(28)17-10-9-11-18(25)14-17/h9-11,14,19H,6-8,12-13H2,1-5H3,(H,26,28)