(3,5-dimethylphenyl) 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoate

Systemtic Name: (3,5-dimethylphenyl) 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoate Openeye Name: (3,5-dimethylphenyl) 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanoate CAS Name: 4-[5-chloro-2-(2-quinolinyl)-1H-indol-3-yl]butanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanoate Traditional Name: 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butyric acid (3,5-dimethylphenyl) ester Formula: C29H25ClN2O2 MolecularWeight: 468.974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C29H25ClN2O2/c1-18-14-19(2)16-22(15-18)34-28(33)9-5-7-23-24-17-21(30)11-13-26(24)32-29(23)27-12-10-20-6-3-4-8-25(20)31-27/h3-4,6,8,10-17,32H,5,7,9H2,1-2H3