2-[(5-ethoxycarbonyl-1H-pyrrol-3-yl)methyl]benzoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-1H-pyrrol-3-yl)methyl]benzoic acid Openeye Name: 2-[(5-ethoxycarbonyl-1H-pyrrol-3-yl)methyl]benzoic acid CAS Name: 2-[(5-ethoxycarbonyl-1H-pyrrol-3-yl)methyl]benzoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-1H-pyrrol-3-yl)methyl]benzoic acid Traditional Name: 2-[(5-carbethoxy-1H-pyrrol-3-yl)methyl]benzoic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CN1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H15NO4/c1-2-20-15(19)13-8-10(9-16-13)7-11-5-3-4-6-12(11)14(17)18/h3-6,8-9,16H,2,7H2,1H3,(H,17,18)