2-oxidanyl-4-phenyl-butanoate; 1-phenyl-N-(phenylmethyl)methanamine

Systemtic Name: 2-oxidanyl-4-phenyl-butanoate; 1-phenyl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-phenyl-methanamine; 2-hydroxy-4-phenyl-butanoate CAS Name: 2-hydroxy-4-phenylbutanoate; 1-phenyl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-phenylmethanamine; 2-hydroxy-4-phenylbutanoate Traditional Name: dibenzylamine; 2-hydroxy-4-phenyl-butyrate Formula: C24H26NO3- MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)[O-])O.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)[O-])O.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C14H15N.C10H12O3/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-10,15H,11-12H2;1-5,9,11H,6-7H2,(H,12,13)/p-1