2,4-bis[(4-azanyl-3,5-dimethyl-phenyl)methyl]-3-oxidanyl-6-propyl-benzoic acid

Systemtic Name: 2,4-bis[(4-azanyl-3,5-dimethyl-phenyl)methyl]-3-oxidanyl-6-propyl-benzoic acid Openeye Name: 2,4-bis[(4-amino-3,5-dimethyl-phenyl)methyl]-3-hydroxy-6-propyl-benzoic acid CAS Name: 2,4-bis[(4-amino-3,5-dimethylphenyl)methyl]-3-hydroxy-6-propylbenzoic acid IUPAC Name: 2,4-bis[(4-amino-3,5-dimethylphenyl)methyl]-3-hydroxy-6-propylbenzoic acid Traditional Name: 2,4-bis(4-amino-3,5-dimethyl-benzyl)-3-hydroxy-6-propyl-benzoic acid Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1C(=O)O)CC2=CC(=C(C(=C2)C)N)C)O)CC3=CC(=C(C(=C3)C)N)C

Isomeric SMILES

CCCC1=CC(=C(C(=C1C(=O)O)CC2=CC(=C(C(=C2)C)N)C)O)CC3=CC(=C(C(=C3)C)N)C

InChI

InChI=1S/C28H34N2O3/c1-6-7-21-14-22(12-19-8-15(2)25(29)16(3)9-19)27(31)23(24(21)28(32)33)13-20-10-17(4)26(30)18(5)11-20/h8-11,14,31H,6-7,12-13,29-30H2,1-5H3,(H,32,33)