1-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(3-ethynylanilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(3-ethynylanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(3-ethynylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(3-ethynylanilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CC2(CCCCC2)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CC2(CCCCC2)C(=O)O

InChI

InChI=1S/C17H19NO3/c1-2-13-7-6-8-14(11-13)18-15(19)12-17(16(20)21)9-4-3-5-10-17/h1,6-8,11H,3-5,9-10,12H2,(H,18,19)(H,20,21)