4-(4-chlorophenyl)-3,5-bis(oxidanyl)-2-propan-2-yl-2-quinolin-3-yl-hept-6-enoic acid

Systemtic Name: 4-(4-chlorophenyl)-3,5-bis(oxidanyl)-2-propan-2-yl-2-quinolin-3-yl-hept-6-enoic acid Openeye Name: 4-(4-chlorophenyl)-3,5-dihydroxy-2-isopropyl-2-(3-quinolyl)hept-6-enoic acid CAS Name: 4-(4-chlorophenyl)-3,5-dihydroxy-2-propan-2-yl-2-(3-quinolinyl)-6-heptenoic acid IUPAC Name: 4-(4-chlorophenyl)-3,5-dihydroxy-2-propan-2-yl-2-quinolin-3-ylhept-6-enoic acid Traditional Name: 4-(4-chlorophenyl)-3,5-dihydroxy-2-isopropyl-2-(3-quinolyl)hept-6-enoic acid Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=CC=CC=C2N=C1)(C(C(C3=CC=C(C=C3)Cl)C(C=C)O)O)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC2=CC=CC=C2N=C1)(C(C(C3=CC=C(C=C3)Cl)C(C=C)O)O)C(=O)O

InChI

InChI=1S/C25H26ClNO4/c1-4-21(28)22(16-9-11-19(26)12-10-16)23(29)25(15(2)3,24(30)31)18-13-17-7-5-6-8-20(17)27-14-18/h4-15,21-23,28-29H,1H2,2-3H3,(H,30,31)