1-[(4-ethynylphenyl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-ethynylphenyl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-ethynylbenzoyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[(4-ethynylphenyl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-ethynylbenzoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[(4-ethynylbenzoyl)amino]cyclohexanecarboxylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)C(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H17NO3/c1-2-12-6-8-13(9-7-12)14(18)17-16(15(19)20)10-4-3-5-11-16/h1,6-9H,3-5,10-11H2,(H,17,18)(H,19,20)