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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-1-(3-methylbutyl)-2-propyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-(4-carbamoyl-1-isopentyl-5-methyl-2-propyl-pyrrol-3-yl)benzoate CAS Name: 4-[4-carbamoyl-5-methyl-1-(3-methylbutyl)-2-propyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-1-(3-methylbutyl)-2-propylpyrrol-3-yl]benzoate Traditional Name: 4-(4-carbamoyl-1-isoamyl-5-methyl-2-propyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O3/c1-6-7-18-20(16-8-10-17(11-9-16)22(26)27-5)19(21(23)25)15(4)24(18)13-12-14(2)3/h8-11,14H,6-7,12-13H2,1-5H3,(H2,23,25)