1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid Traditional Name: 1-homoveratrylpyrrole-2-carboxylic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=CC=C2C(=O)O)OC

InChI

InChI=1S/C15H17NO4/c1-19-13-6-5-11(10-14(13)20-2)7-9-16-8-3-4-12(16)15(17)18/h3-6,8,10H,7,9H2,1-2H3,(H,17,18)