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

Systemtic Name: 2-[2-(8-azanyl-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 2-[2-(4-amino-1,1-dimethyl-tetralin-6-yl)ethynyl]benzoic acid CAS Name: 2-[2-(8-amino-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 2-[2-(8-amino-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 2-[2-(4-amino-1,1-dimethyl-tetralin-6-yl)ethynyl]benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)O)N)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)O)N)C

InChI

InChI=1S/C21H21NO2/c1-21(2)12-11-19(22)17-13-14(8-10-18(17)21)7-9-15-5-3-4-6-16(15)20(23)24/h3-6,8,10,13,19H,11-12,22H2,1-2H3,(H,23,24)