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

Systemtic Name: (4-methylphenyl) 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoate Openeye Name: p-tolyl 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 (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C28H23ClN2O2 MolecularWeight: 454.94742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN2O2/c1-18-9-13-21(14-10-18)33-27(32)8-4-6-22-23-17-20(29)12-16-25(23)31-28(22)26-15-11-19-5-2-3-7-24(19)30-26/h2-3,5,7,9-17,31H,4,6,8H2,1H3