3-[2-(4-acetamidophenyl)ethyl]-4-methyl-3-oxidanyl-pentanoic acid; 1-phenyl-N-(phenylmethyl)ethanamine

Systemtic Name: 3-[2-(4-acetamidophenyl)ethyl]-4-methyl-3-oxidanyl-pentanoic acid; 1-phenyl-N-(phenylmethyl)ethanamine Openeye Name: 3-[2-(4-acetamidophenyl)ethyl]-3-hydroxy-4-methyl-pentanoic acid; N-benzyl-1-phenyl-ethanamine CAS Name: 3-[2-(4-acetamidophenyl)ethyl]-3-hydroxy-4-methylpentanoic acid; 1-phenyl-N-(phenylmethyl)ethanamine IUPAC Name: 3-[2-(4-acetamidophenyl)ethyl]-3-hydroxy-4-methylpentanoic acid; N-benzyl-1-phenylethanamine Traditional Name: 3-[2-(4-acetamidophenyl)ethyl]-3-hydroxy-4-methyl-valeric acid; benzyl(1-phenylethyl)amine Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC1=CC=C(C=C1)NC(=O)C)(CC(=O)O)O.CC(C1=CC=CC=C1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CCC1=CC=C(C=C1)NC(=O)C)(CC(=O)O)O.CC(C1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C16H23NO4.C15H17N/c1-11(2)16(21,10-15(19)20)9-8-13-4-6-14(7-5-13)17-12(3)18;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h4-7,11,21H,8-10H2,1-3H3,(H,17,18)(H,19,20);2-11,13,16H,12H2,1H3