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

Systemtic Name: 6-chloranyl-3,5-bis(oxidanyl)-4-phenyl-2-propan-2-yl-2-quinolin-3-yl-hept-6-enoic acid Openeye Name: 6-chloro-3,5-dihydroxy-2-isopropyl-4-phenyl-2-(3-quinolyl)hept-6-enoic acid CAS Name: 6-chloro-3,5-dihydroxy-4-phenyl-2-propan-2-yl-2-(3-quinolinyl)-6-heptenoic acid IUPAC Name: 6-chloro-3,5-dihydroxy-4-phenyl-2-propan-2-yl-2-quinolin-3-ylhept-6-enoic acid Traditional Name: 6-chloro-3,5-dihydroxy-2-isopropyl-4-phenyl-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=CC=C3)C(C(=C)Cl)O)O)C(=O)O

Isomeric SMILES

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

InChI

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