3-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid

Systemtic Name: 3-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid Openeye Name: 3-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid CAS Name: 3-(3-ethoxycarbonyl-2,5-dimethyl-1-pyrrolyl)benzoic acid IUPAC Name: 3-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)benzoic acid Traditional Name: 3-(3-carbethoxy-2,5-dimethyl-pyrrol-1-yl)benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)C2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)C2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H17NO4/c1-4-21-16(20)14-8-10(2)17(11(14)3)13-7-5-6-12(9-13)15(18)19/h5-9H,4H2,1-3H3,(H,18,19)