2-[5-methyl-2-oxidanylidene-1-(phenylmethyl)-4-propanoyloxy-3H-pyrrol-3-yl]propanoic acid

Systemtic Name: 2-[5-methyl-2-oxidanylidene-1-(phenylmethyl)-4-propanoyloxy-3H-pyrrol-3-yl]propanoic acid Openeye Name: 2-(1-benzyl-5-methyl-2-oxo-4-propanoyloxy-3H-pyrrol-3-yl)propanoic acid CAS Name: 2-[5-methyl-2-oxo-4-(1-oxopropoxy)-1-(phenylmethyl)-3H-pyrrol-3-yl]propanoic acid IUPAC Name: 2-(1-benzyl-5-methyl-2-oxo-4-propanoyloxy-3H-pyrrol-3-yl)propanoic acid Traditional Name: 2-(1-benzyl-2-keto-5-methyl-4-propionyloxy-2-pyrrolin-3-yl)propionic acid Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(N(C(=O)C1C(C)C(=O)O)CC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)OC1=C(N(C(=O)C1C(C)C(=O)O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO5/c1-4-14(20)24-16-12(3)19(10-13-8-6-5-7-9-13)17(21)15(16)11(2)18(22)23/h5-9,11,15H,4,10H2,1-3H3,(H,22,23)