7-[1-(4-methoxycarbonylphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid

Systemtic Name: 7-[1-(4-methoxycarbonylphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Openeye Name: 7-[1-[2-(4-methoxycarbonylphenyl)ethynyl]hexyl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid CAS Name: 7-[1-(4-methoxycarbonylphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid IUPAC Name: 7-[1-(4-methoxycarbonylphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Traditional Name: 7-[1-amyl-3-(4-carbomethoxyphenyl)prop-2-ynyl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)C(CCN3C(=O)O)(C)C

Isomeric SMILES

CCCCCC(C#CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)C(CCN3C(=O)O)(C)C

InChI

InChI=1S/C28H33NO4/c1-5-6-7-8-21(12-9-20-10-13-22(14-11-20)26(30)33-4)23-15-16-24-25(19-23)29(27(31)32)18-17-28(24,2)3/h10-11,13-16,19,21H,5-8,17-18H2,1-4H3,(H,31,32)