2-[(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid Openeye Name: 2-[(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid CAS Name: 2-[(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid Traditional Name: 2-[(5-carbethoxy-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-3-21-16(20)14-10(2)12(9-17-14)8-11-6-4-5-7-13(11)15(18)19/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)