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

Systemtic Name: methyl 4-(4-aminocarbonyl-2-ethyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-2-ethyl-5-methyl-1-undecyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-undecylpyrrol-3-yl)benzoate Traditional Name: 4-(4-carbamoyl-2-ethyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=C(C(=C1CC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

Isomeric SMILES

CCCCCCCCCCCN1C(=C(C(=C1CC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

InChI

InChI=1S/C27H40N2O3/c1-5-7-8-9-10-11-12-13-14-19-29-20(3)24(26(28)30)25(23(29)6-2)21-15-17-22(18-16-21)27(31)32-4/h15-18H,5-14,19H2,1-4H3,(H2,28,30)