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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCOC2=C1C=C(C=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CCOC2=C1C=C(C=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

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