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

Systemtic Name: 7-[1-(4-carboxyphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Openeye Name: 7-[1-[2-(4-carboxyphenyl)ethynyl]hexyl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid CAS Name: 7-[1-(4-carboxyphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid IUPAC Name: 7-[1-(4-carboxyphenyl)oct-1-yn-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Traditional Name: 7-[1-amyl-3-(4-carboxyphenyl)prop-2-ynyl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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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(CCN3C(=O)O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-4-5-6-7-20(11-8-19-9-12-21(13-10-19)25(29)30)22-14-15-23-24(18-22)28(26(31)32)17-16-27(23,2)3/h9-10,12-15,18,20H,4-7,16-17H2,1-3H3,(H,29,30)(H,31,32)