3-[4-[[3-(2,6-dimethylphenyl)phenyl]methyl-propyl-amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methyl-propyl-amino]phenyl]propanoic acid Openeye Name: 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methyl-propyl-amino]phenyl]propanoic acid CAS Name: 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methyl-propylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methyl-propylamino]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(2,6-dimethylphenyl)benzyl]-propyl-amino]phenyl]propionic acid Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC(=C1)C2=C(C=CC=C2C)C)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCN(CC1=CC=CC(=C1)C2=C(C=CC=C2C)C)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C27H31NO2/c1-4-17-28(25-14-11-22(12-15-25)13-16-26(29)30)19-23-9-6-10-24(18-23)27-20(2)7-5-8-21(27)3/h5-12,14-15,18H,4,13,16-17,19H2,1-3H3,(H,29,30)