N,N-diethyl-4-phenyl-aniline; 2-[[4-(phenylmethyl)phenyl]methyl]propanedioic acid

Systemtic Name: N,N-diethyl-4-phenyl-aniline; 2-[[4-(phenylmethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[(4-benzylphenyl)methyl]propanedioic acid; N,N-diethyl-4-phenyl-aniline CAS Name: N,N-diethyl-4-phenylaniline; 2-[[4-(phenylmethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[(4-benzylphenyl)methyl]propanedioic acid; N,N-diethyl-4-phenylaniline Traditional Name: 2-(4-benzylbenzyl)malonic acid; diethyl-(4-phenylphenyl)amine Formula: C33H35NO4 MolecularWeight: 509.6353

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)CC2=CC=C(C=C2)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)CC2=CC=C(C=C2)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C17H16O4.C16H19N/c18-16(19)15(17(20)21)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;1-3-17(4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h1-9,15H,10-11H2,(H,18,19)(H,20,21);5-13H,3-4H2,1-2H3