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

Systemtic Name: 4-[(E)-3-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)oct-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)oct-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)oct-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)oct-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(1-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)oct-1-enyl]benzoic acid Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCN3CC)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO2/c1-5-7-8-9-22(13-10-21-11-14-23(15-12-21)27(30)31)24-16-17-25-26(20-24)29(6-2)19-18-28(25,3)4/h10-17,20,22H,5-9,18-19H2,1-4H3,(H,30,31)/b13-10+