4-azanyl-5-chloranyl-2-[(2S)-pent-3-yn-2-yl]oxy-benzoic acid

Systemtic Name: 4-azanyl-5-chloranyl-2-[(2S)-pent-3-yn-2-yl]oxy-benzoic acid Openeye Name: 4-amino-5-chloro-2-[(1S)-1-methylbut-2-ynoxy]benzoic acid CAS Name: 4-amino-5-chloro-2-[(2S)-pent-3-yn-2-yl]oxybenzoic acid IUPAC Name: 4-amino-5-chloro-2-[(2S)-pent-3-yn-2-yl]oxybenzoic acid Traditional Name: 4-amino-5-chloro-2-[(1S)-1-methylbut-2-ynoxy]benzoic acid Formula: C12H12ClNO3 MolecularWeight: 255.674122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC(=C(C=C1C(=O)O)Cl)N

Isomeric SMILES

CC#C[C@H](C)OC1=CC(=C(C=C1[14C](=O)O)Cl)N

InChI

InChI=1S/C12H12ClNO3/c1-3-4-7(2)17-11-6-10(14)9(13)5-8(11)12(15)16/h5-7H,14H2,1-2H3,(H,15,16)/t7-/m0/s1/i12+2