6-(acetamidomethyl)-7-methyl-6-phenyl-octanoic acid

Systemtic Name: 6-(acetamidomethyl)-7-methyl-6-phenyl-octanoic acid Openeye Name: 6-(acetamidomethyl)-7-methyl-6-phenyl-octanoic acid CAS Name: 6-(acetamidomethyl)-7-methyl-6-phenyloctanoic acid IUPAC Name: 6-(acetamidomethyl)-7-methyl-6-phenyloctanoic acid Traditional Name: 6-(acetamidomethyl)-7-methyl-6-phenyl-caprylic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-14(2)18(13-19-15(3)20,12-8-7-11-17(21)22)16-9-5-4-6-10-16/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,19,20)(H,21,22)