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

Systemtic Name: methyl 4-(4-aminocarbonyl-2-butyl-5-methyl-1-prop-2-enyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(1-allyl-2-butyl-4-carbamoyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-(2-butyl-4-carbamoyl-5-methyl-1-prop-2-enyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-butyl-4-carbamoyl-5-methyl-1-prop-2-enylpyrrol-3-yl)benzoate Traditional Name: 4-(1-allyl-2-butyl-4-carbamoyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC=C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CC=C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O3/c1-5-7-8-17-19(15-9-11-16(12-10-15)21(25)26-4)18(20(22)24)14(3)23(17)13-6-2/h6,9-12H,2,5,7-8,13H2,1,3-4H3,(H2,22,24)