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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(cyclohexylmethyl)-2,5-dimethyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(cyclohexylmethyl)-2,5-dimethyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(cyclohexylmethyl)-2,5-dimethyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(cyclohexylmethyl)-2,5-dimethylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(cyclohexylmethyl)-2,5-dimethyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-14-19(17-9-11-18(12-10-17)22(26)27-3)20(21(23)25)15(2)24(14)13-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H2,23,25)