5-[cyclohexyl(phenyl)amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[cyclohexyl(phenyl)amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(N-cyclohexylanilino)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(N-cyclohexylanilino)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(N-cyclohexylanilino)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(N-cyclohexylanilino)-5-keto-3-methyl-valeric acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C18H25NO3/c1-14(13-18(21)22)12-17(20)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,21,22)