methyl 4-(4-aminocarbonyl-2-butyl-1-cyclooctyl-5-methyl-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-aminocarbonyl-2-butyl-1-cyclooctyl-5-methyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(2-butyl-4-carbamoyl-1-cyclooctyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-(2-butyl-4-carbamoyl-1-cyclooctyl-5-methyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-butyl-4-carbamoyl-1-cyclooctyl-5-methylpyrrol-3-yl)benzoate Traditional Name: 4-(2-butyl-4-carbamoyl-1-cyclooctyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H36N2O3/c1-4-5-13-22-24(19-14-16-20(17-15-19)26(30)31-3)23(25(27)29)18(2)28(22)21-11-9-7-6-8-10-12-21/h14-17,21H,4-13H2,1-3H3,(H2,27,29)