4-[2-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid

Systemtic Name: 4-[2-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid Openeye Name: 4-[2-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid CAS Name: 4-[2-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid IUPAC Name: 4-[2-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid Traditional Name: 4-[2-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCN3CC)(C)C

Isomeric SMILES

CCCCCC(COC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCN3CC)(C)C

InChI

InChI=1S/C27H37NO3/c1-5-7-8-9-22(19-31-23-13-10-20(11-14-23)26(29)30)21-12-15-24-25(18-21)28(6-2)17-16-27(24,3)4/h10-15,18,22H,5-9,16-17,19H2,1-4H3,(H,29,30)