6-acetamido-7-methyl-6-phenyl-octanoic acid

Systemtic Name: 6-acetamido-7-methyl-6-phenyl-octanoic acid Openeye Name: 6-acetamido-7-methyl-6-phenyl-octanoic acid CAS Name: 6-acetamido-7-methyl-6-phenyloctanoic acid IUPAC Name: 6-acetamido-7-methyl-6-phenyloctanoic acid Traditional Name: 6-acetamido-7-methyl-6-phenyl-caprylic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(C1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(C1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C17H25NO3/c1-13(2)17(18-14(3)19,12-8-7-11-16(20)21)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,18,19)(H,20,21)