2,2-bis(phenylmethyl)propanedioic acid; 4-(2,3-diethylphenyl)aniline

Systemtic Name: 2,2-bis(phenylmethyl)propanedioic acid; 4-(2,3-diethylphenyl)aniline Openeye Name: 2,2-dibenzylpropanedioic acid; 4-(2,3-diethylphenyl)aniline CAS Name: 2,2-bis(phenylmethyl)propanedioic acid; 4-(2,3-diethylphenyl)aniline IUPAC Name: 2,2-dibenzylpropanedioic acid; 4-(2,3-diethylphenyl)aniline Traditional Name: 2,2-dibenzylmalonic acid; [4-(2,3-diethylphenyl)phenyl]amine Formula: C33H35NO4 MolecularWeight: 509.6353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1CC)C2=CC=C(C=C2)N.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC(=C1CC)C2=CC=C(C=C2)N.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

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