4,4-bis[3-[(diphenylamino)methyl]-4-oxidanyl-phenyl]pentanoic acid

Systemtic Name: 4,4-bis[3-[(diphenylamino)methyl]-4-oxidanyl-phenyl]pentanoic acid Openeye Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]pentanoic acid CAS Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]pentanoic acid Traditional Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]valeric acid Formula: C43H40N2O4 MolecularWeight: 648.7887

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC(=C(C=C1)O)CN(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)CN(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(CCC(=O)O)(C1=CC(=C(C=C1)O)CN(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)CN(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C43H40N2O4/c1-43(27-26-42(48)49,34-22-24-40(46)32(28-34)30-44(36-14-6-2-7-15-36)37-16-8-3-9-17-37)35-23-25-41(47)33(29-35)31-45(38-18-10-4-11-19-38)39-20-12-5-13-21-39/h2-25,28-29,46-47H,26-27,30-31H2,1H3,(H,48,49)