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

Systemtic Name: methyl 4-(4-aminocarbonyl-5-methyl-2-propyl-1-undecyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-5-methyl-2-propyl-1-undecyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-5-methyl-2-propyl-1-undecyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-5-methyl-2-propyl-1-undecylpyrrol-3-yl)benzoate Traditional Name: 4-(4-carbamoyl-5-methyl-2-propyl-1-undecyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=C(C(=C1CCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

Isomeric SMILES

CCCCCCCCCCCN1C(=C(C(=C1CCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

InChI

InChI=1S/C28H42N2O3/c1-5-7-8-9-10-11-12-13-14-20-30-21(3)25(27(29)31)26(24(30)15-6-2)22-16-18-23(19-17-22)28(32)33-4/h16-19H,5-15,20H2,1-4H3,(H2,29,31)