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

Systemtic Name: methyl 4-(4-aminocarbonyl-1-cyclooctyl-2-ethyl-5-methyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-1-cyclooctyl-2-ethyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-1-cyclooctyl-2-ethyl-5-methyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-1-cyclooctyl-2-ethyl-5-methylpyrrol-3-yl)benzoate Traditional Name: 4-(4-carbamoyl-1-cyclooctyl-2-ethyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H32N2O3/c1-4-20-22(17-12-14-18(15-13-17)24(28)29-3)21(23(25)27)16(2)26(20)19-10-8-6-5-7-9-11-19/h12-15,19H,4-11H2,1-3H3,(H2,25,27)