2-[(3-ethynylphenyl)carbamoyl]-5-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3-ethynylphenyl)carbamoyl]-5-methyl-cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-ethynylphenyl)carbamoyl]-5-methyl-cyclohexanecarboxylic acid CAS Name: 2-[(3-ethynylanilino)-oxomethyl]-5-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-ethynylphenyl)carbamoyl]-5-methylcyclohexane-1-carboxylic acid Traditional Name: 2-[(3-ethynylphenyl)carbamoyl]-5-methyl-cyclohexanecarboxylic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)O)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1CCC(C(C1)C(=O)O)C(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C17H19NO3/c1-3-12-5-4-6-13(10-12)18-16(19)14-8-7-11(2)9-15(14)17(20)21/h1,4-6,10-11,14-15H,7-9H2,2H3,(H,18,19)(H,20,21)