2-[4-(cyclohexylmethoxy)-3-(2-oxidanylidene-1H-quinolin-6-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(cyclohexylmethoxy)-3-(2-oxidanylidene-1H-quinolin-6-yl)phenyl]propanoic acid Openeye Name: 2-[4-(cyclohexylmethoxy)-3-(2-oxo-1H-quinolin-6-yl)phenyl]propanoic acid CAS Name: 2-[4-(cyclohexylmethoxy)-3-(2-oxo-1H-quinolin-6-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(cyclohexylmethoxy)-3-(2-oxo-1H-quinolin-6-yl)phenyl]propanoic acid Traditional Name: 2-[4-(cyclohexylmethoxy)-3-(2-keto-1H-quinolin-6-yl)phenyl]propionic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)NC(=O)C=C4)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)NC(=O)C=C4)C(=O)O

InChI

InChI=1S/C25H27NO4/c1-16(25(28)29)18-8-11-23(30-15-17-5-3-2-4-6-17)21(14-18)19-7-10-22-20(13-19)9-12-24(27)26-22/h7-14,16-17H,2-6,15H2,1H3,(H,26,27)(H,28,29)