3-(3-methoxycarbonyl-5-pyrrol-1-yl-phenyl)propanoic acid

Systemtic Name: 3-(3-methoxycarbonyl-5-pyrrol-1-yl-phenyl)propanoic acid Openeye Name: 3-(3-methoxycarbonyl-5-pyrrol-1-yl-phenyl)propanoic acid CAS Name: 3-[3-methoxycarbonyl-5-(1-pyrrolyl)phenyl]propanoic acid IUPAC Name: 3-(3-methoxycarbonyl-5-pyrrol-1-ylphenyl)propanoic acid Traditional Name: 3-(3-carbomethoxy-5-pyrrol-1-yl-phenyl)propionic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2C=CC=C2)CCC(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2C=CC=C2)CCC(=O)O

InChI

InChI=1S/C15H15NO4/c1-20-15(19)12-8-11(4-5-14(17)18)9-13(10-12)16-6-2-3-7-16/h2-3,6-10H,4-5H2,1H3,(H,17,18)