4-[5-(5,6-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,6-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5,6-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5,6-dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5,6-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5,6-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=C(C2=C(C=C1)OCC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)OCC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

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