methyl 4-[4-aminocarbonyl-1-(cyclohexylmethyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(cyclohexylmethyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(cyclohexylmethyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(cyclohexylmethyl)-2-ethyl-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(cyclohexylmethyl)-2-ethyl-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(cyclohexylmethyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1CC2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H30N2O3/c1-4-19-21(17-10-12-18(13-11-17)23(27)28-3)20(22(24)26)15(2)25(19)14-16-8-6-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3,(H2,24,26)