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

Systemtic Name: methyl 4-(4-aminocarbonyl-1-cyclooctyl-5-methyl-2-propyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-propyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-propyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-propylpyrrol-3-yl)benzoate Traditional Name: 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-propyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H34N2O3/c1-4-10-21-23(18-13-15-19(16-14-18)25(29)30-3)22(24(26)28)17(2)27(21)20-11-8-6-5-7-9-12-20/h13-16,20H,4-12H2,1-3H3,(H2,26,28)