methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-propan-2-yl-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-propan-2-yl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-1-isopropyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-5-methyl-2-pentyl-1-propan-2-yl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-5-methyl-2-pentyl-1-propan-2-ylpyrrol-3-yl)benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-1-isopropyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1C(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1C(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O3/c1-6-7-8-9-18-20(16-10-12-17(13-11-16)22(26)27-5)19(21(23)25)15(4)24(18)14(2)3/h10-14H,6-9H2,1-5H3,(H2,23,25)