methyl 4-[2-(cyclohexylmethyl)phenyl]carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[2-(cyclohexylmethyl)phenyl]carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[2-(cyclohexylmethyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(cyclohexylmethyl)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(cyclohexylmethyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(cyclohexylmethyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3CCCCC3

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3CCCCC3

InChI

InChI=1S/C22H27NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h7-8,11-12,16,23H,4-6,9-10,13H2,1-3H3