5-chloranyl-4-(2,5-dimethylpyrrol-1-yl)-2-[(2S)-pent-3-yn-2-yl]oxy-benzoic acid

Systemtic Name: 5-chloranyl-4-(2,5-dimethylpyrrol-1-yl)-2-[(2S)-pent-3-yn-2-yl]oxy-benzoic acid Openeye Name: 5-chloro-4-(2,5-dimethylpyrrol-1-yl)-2-[(1S)-1-methylbut-2-ynoxy]benzoic acid CAS Name: 5-chloro-4-(2,5-dimethyl-1-pyrrolyl)-2-[(2S)-pent-3-yn-2-yl]oxybenzoic acid IUPAC Name: 5-chloro-4-(2,5-dimethylpyrrol-1-yl)-2-[(2S)-pent-3-yn-2-yl]oxybenzoic acid Traditional Name: 5-chloro-4-(2,5-dimethylpyrrol-1-yl)-2-[(1S)-1-methylbut-2-ynoxy]benzoic acid Formula: C18H18ClNO3 MolecularWeight: 333.785962

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC(=C(C=C1C(=O)O)Cl)N2C(=CC=C2C)C

Isomeric SMILES

CC#C[C@H](C)OC1=CC(=C(C=C1[14C](=O)O)Cl)N2C(=CC=C2C)C

InChI

InChI=1S/C18H18ClNO3/c1-5-6-13(4)23-17-10-16(15(19)9-14(17)18(21)22)20-11(2)7-8-12(20)3/h7-10,13H,1-4H3,(H,21,22)/t13-/m0/s1/i18+2