methyl 4-[3-(3-methylbutanoyl)-4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-(3-methylbutanoyl)-4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-3-(3-methyl-1-oxobutyl)-5-oxo-1-(phenylmethyl)-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-(1-benzyl-4-hydroxy-3-isovaleryl-5-keto-3-pyrrolin-2-yl)benzoic acid methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H25NO5/c1-15(2)13-19(26)20-21(17-9-11-18(12-10-17)24(29)30-3)25(23(28)22(20)27)14-16-7-5-4-6-8-16/h4-12,15,21,27H,13-14H2,1-3H3