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

Systemtic Name: 6-methyl-3,5-bis(oxidanyl)-4-phenyl-2-propan-2-yl-2-quinolin-3-yl-hept-6-enoic acid Openeye Name: 3,5-dihydroxy-2-isopropyl-6-methyl-4-phenyl-2-(3-quinolyl)hept-6-enoic acid CAS Name: 3,5-dihydroxy-6-methyl-4-phenyl-2-propan-2-yl-2-(3-quinolinyl)-6-heptenoic acid IUPAC Name: 3,5-dihydroxy-6-methyl-4-phenyl-2-propan-2-yl-2-quinolin-3-ylhept-6-enoic acid Traditional Name: 3,5-dihydroxy-2-isopropyl-6-methyl-4-phenyl-2-(3-quinolyl)hept-6-enoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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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)C)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)C)O)O)C(=O)O

InChI

InChI=1S/C26H29NO4/c1-16(2)23(28)22(18-10-6-5-7-11-18)24(29)26(17(3)4,25(30)31)20-14-19-12-8-9-13-21(19)27-15-20/h5-15,17,22-24,28-29H,1H2,2-4H3,(H,30,31)