methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-(2-butyl-4-carbamoyl-1-isopentyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-methylbutyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate Traditional Name: 4-(2-butyl-4-carbamoyl-1-isoamyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H32N2O3/c1-6-7-8-19-21(17-9-11-18(12-10-17)23(27)28-5)20(22(24)26)16(4)25(19)14-13-15(2)3/h9-12,15H,6-8,13-14H2,1-5H3,(H2,24,26)