ethyl 2,5-dimethyl-1-[[4-[(phenylmethyl)carbamoyl]cyclohexyl]methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[[4-[(phenylmethyl)carbamoyl]cyclohexyl]methyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[[4-[oxo-[(phenylmethyl)amino]methyl]cyclohexyl]methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H32N2O3/c1-4-29-24(28)22-14-17(2)26(18(22)3)16-20-10-12-21(13-11-20)23(27)25-15-19-8-6-5-7-9-19/h5-9,14,20-21H,4,10-13,15-16H2,1-3H3,(H,25,27)