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

Systemtic Name: 4-[5-(6-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(6-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(6-methyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(6-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(6-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H17NO3 MolecularWeight: 331.36458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17NO3/c1-13-2-9-20-16(10-13)11-17(12-25-20)19-8-7-18(22-19)14-3-5-15(6-4-14)21(23)24/h2-11,22H,12H2,1H3,(H,23,24)