ethyl 1-[4-(cycloheptylcarbamoyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[4-(cycloheptylcarbamoyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[4-(cycloheptylcarbamoyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[4-[(cycloheptylamino)-oxomethyl]phenyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(cycloheptylcarbamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[4-(cycloheptylcarbamoyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C(=O)NC3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C(=O)NC3CCCCCC3)C

InChI

InChI=1S/C23H30N2O3/c1-4-28-23(27)21-15-16(2)25(17(21)3)20-13-11-18(12-14-20)22(26)24-19-9-7-5-6-8-10-19/h11-15,19H,4-10H2,1-3H3,(H,24,26)