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

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

Systemtic Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(dibutylamino)benzoic acid
Openeye Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(dibutylamino)benzoic acid
CAS Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(dibutylamino)benzoic acid
IUPAC Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(dibutylamino)benzoic acid
Traditional Name:2-[bis[4-(dibutylamino)phenyl]methyl]-5-(dibutylamino)benzoic acid
Formula: C44H67N3O2
MolecularWeight: 670.02168
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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(CCCC)CCCC)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(CCCC)CCCC)C(=O)O


InChI

InChI=1S/C44H67N3O2/c1-7-13-29-45(30-14-8-2)38-23-19-36(20-24-38)43(37-21-25-39(26-22-37)46(31-15-9-3)32-16-10-4)41-28-27-40(35-42(41)44(48)49)47(33-17-11-5)34-18-12-6/h19-28,35,43H,7-18,29-34H2,1-6H3,(H,48,49)


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