4-[5-(5-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5-methoxy-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17NO4/c1-25-19-3-2-4-20-16(19)11-15(12-26-20)18-10-9-17(22-18)13-5-7-14(8-6-13)21(23)24/h2-11,22H,12H2,1H3,(H,23,24)