3,3,3-tris[4-[(3-methylphenyl)amino]phenyl]propanoic acid

Systemtic Name: 3,3,3-tris[4-[(3-methylphenyl)amino]phenyl]propanoic acid Openeye Name: 3,3,3-tris[4-(3-methylanilino)phenyl]propanoic acid CAS Name: 3,3,3-tris[4-(3-methylanilino)phenyl]propanoic acid IUPAC Name: 3,3,3-tris[4-(3-methylanilino)phenyl]propanoic acid Traditional Name: 3,3,3-tris[4-(m-toluidino)phenyl]propionic acid Formula: C42H39N3O2 MolecularWeight: 617.77796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(CC(=O)O)(C3=CC=C(C=C3)NC4=CC=CC(=C4)C)C5=CC=C(C=C5)NC6=CC=CC(=C6)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(CC(=O)O)(C3=CC=C(C=C3)NC4=CC=CC(=C4)C)C5=CC=C(C=C5)NC6=CC=CC(=C6)C

InChI

InChI=1S/C42H39N3O2/c1-29-7-4-10-38(25-29)43-35-19-13-32(14-20-35)42(28-41(46)47,33-15-21-36(22-16-33)44-39-11-5-8-30(2)26-39)34-17-23-37(24-18-34)45-40-12-6-9-31(3)27-40/h4-27,43-45H,28H2,1-3H3,(H,46,47)