[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3CCCCC3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3CCCCC3)C

InChI

InChI=1S/C22H28N2O3/c1-16-8-9-17(2)24(16)20-12-10-19(11-13-20)22(26)27-15-21(25)23-14-18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,23,25)