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

Systemtic Name: 1-[(4-chloranyl-3-ethynyl-phenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[(4-chloro-3-ethynyl-phenyl)methyl]-5-hydroxy-indole-2-carboxylic acid CAS Name: 1-[(4-chloro-3-ethynylphenyl)methyl]-5-hydroxy-2-indolecarboxylic acid IUPAC Name: 1-[(4-chloro-3-ethynylphenyl)methyl]-5-hydroxyindole-2-carboxylic acid Traditional Name: 1-(4-chloro-3-ethynyl-benzyl)-5-hydroxy-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)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O)Cl

Isomeric SMILES

C#CC1=C(C=CC(=C1)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O)Cl

InChI

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