4-[5-(5,6,8-trimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,6,8-trimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5,6,8-trimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5,6,8-trimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5,6,8-trimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5,6,8-trimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C)C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1C)C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C23H21NO3/c1-13-10-14(2)22-19(15(13)3)11-18(12-27-22)21-9-8-20(24-21)16-4-6-17(7-5-16)23(25)26/h4-11,24H,12H2,1-3H3,(H,25,26)