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

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

Systemtic Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(diethylamino)benzoic acid
Openeye Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(diethylamino)benzoic acid
CAS Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(diethylamino)benzoic acid
IUPAC Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(diethylamino)benzoic acid
Traditional Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(diethylamino)benzoic acid
Formula: C40H59N3O2
MolecularWeight: 613.91536
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CCCC)CCCC)C3=C(C=C(C=C3)N(CC)CC)C(=O)O


Isomeric SMILES

CCCCN(CCCC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CCCC)CCCC)C3=C(C=C(C=C3)N(CC)CC)C(=O)O


InChI

InChI=1S/C40H59N3O2/c1-7-13-27-42(28-14-8-2)34-21-17-32(18-22-34)39(37-26-25-36(41(11-5)12-6)31-38(37)40(44)45)33-19-23-35(24-20-33)43(29-15-9-3)30-16-10-4/h17-26,31,39H,7-16,27-30H2,1-6H3,(H,44,45)


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