4-[5-(5-bromanyl-8-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5-bromanyl-8-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5-bromo-8-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5-bromo-8-methoxy-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5-bromo-8-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5-bromo-8-methoxy-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Br)C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)Br)C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16BrNO4/c1-26-19-9-6-16(22)15-10-14(11-27-20(15)19)18-8-7-17(23-18)12-2-4-13(5-3-12)21(24)25/h2-10,23H,11H2,1H3,(H,24,25)