1-[[[4-(3-methoxyprop-1-ynyl)phenyl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[[4-(3-methoxyprop-1-ynyl)phenyl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[[4-(3-methoxyprop-1-ynyl)benzoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[[[4-(3-methoxyprop-1-ynyl)phenyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[[4-(3-methoxyprop-1-ynyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[[4-(3-methoxyprop-1-ynyl)benzoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)C(=O)O

Isomeric SMILES

COCC#CC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)C(=O)O

InChI

InChI=1S/C19H23NO4/c1-24-13-5-6-15-7-9-16(10-8-15)17(21)20-14-19(18(22)23)11-3-2-4-12-19/h7-10H,2-4,11-14H2,1H3,(H,20,21)(H,22,23)