4-[3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-ynyl]benzoic acid

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-ynyl]benzoic acid Openeye Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-ynyl]benzoic acid CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-ynyl]benzoic acid IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-ynyl]benzoic acid Traditional Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-ynyl]benzoic acid Formula: C26H31NO2 MolecularWeight: 389.52984

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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(CCN3)(C)C

Isomeric SMILES

CCCCCC(C#CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCN3)(C)C

InChI

InChI=1S/C26H31NO2/c1-4-5-6-7-20(11-8-19-9-12-21(13-10-19)25(28)29)22-14-15-23-24(18-22)27-17-16-26(23,2)3/h9-10,12-15,18,20,27H,4-7,16-17H2,1-3H3,(H,28,29)