3-[3-methyl-2-[(E)-4-methyl-4-oxidanyl-3-oxidanylidene-pent-1-enyl]-4-(3-phenylpropoxy)quinolin-8-yl]propanoic acid

Systemtic Name: 3-[3-methyl-2-[(E)-4-methyl-4-oxidanyl-3-oxidanylidene-pent-1-enyl]-4-(3-phenylpropoxy)quinolin-8-yl]propanoic acid Openeye Name: 3-[2-[(E)-4-hydroxy-4-methyl-3-oxo-pent-1-enyl]-3-methyl-4-(3-phenylpropoxy)-8-quinolyl]propanoic acid CAS Name: 3-[2-[(E)-4-hydroxy-4-methyl-3-oxopent-1-enyl]-3-methyl-4-(3-phenylpropoxy)-8-quinolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-4-hydroxy-4-methyl-3-oxopent-1-enyl]-3-methyl-4-(3-phenylpropoxy)quinolin-8-yl]propanoic acid Traditional Name: 3-[2-[(E)-4-hydroxy-3-keto-4-methyl-pent-1-enyl]-3-methyl-4-(3-phenylpropoxy)-8-quinolyl]propionic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)CCC(=O)O)N=C1C=CC(=O)C(C)(C)O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)CCC(=O)O)N=C1/C=C/C(=O)C(C)(C)O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H31NO5/c1-19-23(15-16-24(30)28(2,3)33)29-26-21(14-17-25(31)32)12-7-13-22(26)27(19)34-18-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-13,15-16,33H,8,11,14,17-18H2,1-3H3,(H,31,32)/b16-15+