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

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

Systemtic Name:4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]benzoic acid
Openeye Name:4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]benzoic acid
CAS Name:4-[bis[4-(diethylamino)-2-methylphenyl]methyl]benzoic acid
IUPAC Name:4-[bis[4-(diethylamino)-2-methylphenyl]methyl]benzoic acid
Traditional Name:4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]benzoic acid
Formula: C30H38N2O2
MolecularWeight: 458.63492
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H38N2O2/c1-7-31(8-2)25-15-17-27(21(5)19-25)29(23-11-13-24(14-12-23)30(33)34)28-18-16-26(20-22(28)6)32(9-3)10-4/h11-20,29H,7-10H2,1-6H3,(H,33,34)


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