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

Systemtic Name: methyl 4-(4-aminocarbonyl-1-cyclooctyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-pentyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-1-cyclooctyl-5-methyl-2-pentylpyrrol-3-yl)benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-1-cyclooctyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H38N2O3/c1-4-5-9-14-23-25(20-15-17-21(18-16-20)27(31)32-3)24(26(28)30)19(2)29(23)22-12-10-7-6-8-11-13-22/h15-18,22H,4-14H2,1-3H3,(H2,28,30)