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

Systemtic Name: 4-[5-(8-methoxy-5-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(8-methoxy-5-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(8-methoxy-5-methyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(8-methoxy-5-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(8-methoxy-5-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-13-3-10-20(26-2)21-17(13)11-16(12-27-21)19-9-8-18(23-19)14-4-6-15(7-5-14)22(24)25/h3-11,23H,12H2,1-2H3,(H,24,25)