3-[(4-chloranyl-3-ethynyl-phenyl)methyl]-5-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-3-ethynyl-phenyl)methyl]-5-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-chloro-3-ethynyl-phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid CAS Name: 3-[(4-chloro-3-ethynylphenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4-chloro-3-ethynylphenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 3-(4-chloro-3-ethynyl-benzyl)-5-hydroxy-1H-indole-2-carboxylic acid Formula: C18H12ClNO3 MolecularWeight: 325.74578

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)Cl

Isomeric SMILES

C#CC1=C(C=CC(=C1)CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)Cl

InChI

InChI=1S/C18H12ClNO3/c1-2-11-7-10(3-5-15(11)19)8-14-13-9-12(21)4-6-16(13)20-17(14)18(22)23/h1,3-7,9,20-21H,8H2,(H,22,23)