ethanedioic acid; 4-phenyl-1-[(phenylmethyl)amino]butan-2-ol

Systemtic Name: ethanedioic acid; 4-phenyl-1-[(phenylmethyl)amino]butan-2-ol Openeye Name: 1-(benzylamino)-4-phenyl-butan-2-ol; oxalic acid CAS Name: oxalic acid; 4-phenyl-1-[(phenylmethyl)amino]-2-butanol IUPAC Name: 1-(benzylamino)-4-phenylbutan-2-ol; oxalic acid Traditional Name: 1-(benzylamino)-4-phenyl-butan-2-ol; oxalic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CNCC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CNCC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21NO.C2H2O4/c19-17(12-11-15-7-3-1-4-8-15)14-18-13-16-9-5-2-6-10-16;3-1(4)2(5)6/h1-10,17-19H,11-14H2;(H,3,4)(H,5,6)