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

Systemtic Name: methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-prop-2-enyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(1-allyl-4-carbamoyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-5-methyl-2-pentyl-1-prop-2-enyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-5-methyl-2-pentyl-1-prop-2-enylpyrrol-3-yl)benzoate Traditional Name: 4-(1-allyl-2-amyl-4-carbamoyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC=C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC=C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-5-7-8-9-18-20(16-10-12-17(13-11-16)22(26)27-4)19(21(23)25)15(3)24(18)14-6-2/h6,10-13H,2,5,7-9,14H2,1,3-4H3,(H2,23,25)