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

Systemtic Name: methyl 4-(4-aminocarbonyl-2-butyl-5-methyl-1-propan-2-yl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(2-butyl-4-carbamoyl-1-isopropyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-(2-butyl-4-carbamoyl-5-methyl-1-propan-2-yl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-butyl-4-carbamoyl-5-methyl-1-propan-2-ylpyrrol-3-yl)benzoate Traditional Name: 4-(2-butyl-4-carbamoyl-1-isopropyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1C(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1C(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O3/c1-6-7-8-17-19(15-9-11-16(12-10-15)21(25)26-5)18(20(22)24)14(4)23(17)13(2)3/h9-13H,6-8H2,1-5H3,(H2,22,24)