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

Systemtic Name: methyl 4-(4-aminocarbonyl-2-butyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(2-butyl-4-carbamoyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoate CAS Name: 4-(2-butyl-4-carbamoyl-5-methyl-1-undecyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-butyl-4-carbamoyl-5-methyl-1-undecylpyrrol-3-yl)benzoate Traditional Name: 4-(2-butyl-4-carbamoyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=C(C(=C1CCCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

Isomeric SMILES

CCCCCCCCCCCN1C(=C(C(=C1CCCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

InChI

InChI=1S/C29H44N2O3/c1-5-7-9-10-11-12-13-14-15-21-31-22(3)26(28(30)32)27(25(31)16-8-6-2)23-17-19-24(20-18-23)29(33)34-4/h17-20H,5-16,21H2,1-4H3,(H2,30,32)