2-[bis(4-dimethylaminophenyl)methyl]-5-(diethylamino)benzoic acid

Systemtic Name: 2-[bis(4-dimethylaminophenyl)methyl]-5-(diethylamino)benzoic acid Openeye Name: 2-[bis(4-dimethylaminophenyl)methyl]-5-(diethylamino)benzoic acid CAS Name: 2-[bis(4-dimethylaminophenyl)methyl]-5-(diethylamino)benzoic acid IUPAC Name: 2-[bis(4-dimethylaminophenyl)methyl]-5-(diethylamino)benzoic acid Traditional Name: 2-[bis(4-dimethylaminophenyl)methyl]-5-(diethylamino)benzoic acid Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C28H35N3O2/c1-7-31(8-2)24-17-18-25(26(19-24)28(32)33)27(20-9-13-22(14-10-20)29(3)4)21-11-15-23(16-12-21)30(5)6/h9-19,27H,7-8H2,1-6H3,(H,32,33)