4-(cyclohexylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(cyclohexylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(cyclohexylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-(cyclohexylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(cyclohexylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(cyclohexylamino)-3-(3,5-dimethylbenzyl)-4-keto-butyric acid Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(=O)O)C(=O)NC2CCCCC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(CC(=O)O)C(=O)NC2CCCCC2)C

InChI

InChI=1S/C19H27NO3/c1-13-8-14(2)10-15(9-13)11-16(12-18(21)22)19(23)20-17-6-4-3-5-7-17/h8-10,16-17H,3-7,11-12H2,1-2H3,(H,20,23)(H,21,22)