4-(cyclohexylamino)-2-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(cyclohexylamino)-2-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(cyclohexylamino)-2-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-(cyclohexylamino)-2-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(cyclohexylamino)-2-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(cyclohexylamino)-4-keto-2-(3-methylbenzyl)butyric acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/c1-13-6-5-7-14(10-13)11-15(18(21)22)12-17(20)19-16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3,(H,19,20)(H,21,22)