3-methoxy-1-(phenylmethyl)pyrrole-2,4-dicarboxylic acid

Systemtic Name: 3-methoxy-1-(phenylmethyl)pyrrole-2,4-dicarboxylic acid Openeye Name: 1-benzyl-3-methoxy-pyrrole-2,4-dicarboxylic acid CAS Name: 3-methoxy-1-(phenylmethyl)pyrrole-2,4-dicarboxylic acid IUPAC Name: 1-benzyl-3-methoxypyrrole-2,4-dicarboxylic acid Traditional Name: 1-benzyl-3-methoxy-pyrrole-2,4-dicarboxylic acid Formula: C14H13NO5 MolecularWeight: 275.25672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N(C=C1C(=O)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(N(C=C1C(=O)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H13NO5/c1-20-12-10(13(16)17)8-15(11(12)14(18)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)