4-[5-(5,7-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,7-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5,7-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5,7-dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5,7-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5,7-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(COC2=C1)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C=C(COC2=C1)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C22H19NO3/c1-13-9-14(2)18-11-17(12-26-21(18)10-13)20-8-7-19(23-20)15-3-5-16(6-4-15)22(24)25/h3-11,23H,12H2,1-2H3,(H,24,25)