4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2=C1C=CC(=N2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1CCC(C2=C1C=CC(=N2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C22H22N2O2/c1-13-3-4-14(2)21-17(13)9-10-20(24-21)19-12-11-18(23-19)15-5-7-16(8-6-15)22(25)26/h5-14,23H,3-4H2,1-2H3,(H,25,26)