4-[2-[8,8-dimethyl-5-(2-methylpropylamino)-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8,8-dimethyl-5-(2-methylpropylamino)-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[1-(isobutylamino)-4,4-dimethyl-tetralin-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8,8-dimethyl-5-(2-methylpropylamino)-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8,8-dimethyl-5-(2-methylpropylamino)-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[1-(isobutylamino)-4,4-dimethyl-tetralin-6-yl]ethynyl]benzoic acid Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)CNC1CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C25H29NO2/c1-17(2)16-26-23-13-14-25(3,4)22-15-19(9-12-21(22)23)6-5-18-7-10-20(11-8-18)24(27)28/h7-12,15,17,23,26H,13-14,16H2,1-4H3,(H,27,28)