2-[4-(dimethylamino)-1-(1-phenylbut-2-ynyl)cyclohexyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[4-(dimethylamino)-1-(1-phenylbut-2-ynyl)cyclohexyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[4-(dimethylamino)-1-(1-phenylbut-2-ynyl)cyclohexyl]-2-hydroxy-acetic acid CAS Name: 2-[4-(dimethylamino)-1-(1-phenylbut-2-ynyl)cyclohexyl]-2-hydroxyacetic acid IUPAC Name: 2-[4-(dimethylamino)-1-(1-phenylbut-2-ynyl)cyclohexyl]-2-hydroxyacetic acid Traditional Name: 2-[4-(dimethylamino)-1-(1-phenylbut-2-ynyl)cyclohexyl]-2-hydroxy-acetic acid Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CC=C1)C2(CCC(CC2)N(C)C)C(C(=O)O)O

Isomeric SMILES

CC#CC(C1=CC=CC=C1)C2(CCC(CC2)N(C)C)C(C(=O)O)O

InChI

InChI=1S/C20H27NO3/c1-4-8-17(15-9-6-5-7-10-15)20(18(22)19(23)24)13-11-16(12-14-20)21(2)3/h5-7,9-10,16-18,22H,11-14H2,1-3H3,(H,23,24)