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4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid

4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid

Systemtic Name:4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid
Openeye Name:4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid
CAS Name:4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid
IUPAC Name:4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid
Traditional Name:4-[18-(4-chlorophenyl)octadec-17-ynylamino]benzoic acid
Formula: C31H42ClNO2
MolecularWeight: 496.12368
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)Cl


Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)Cl


InChI

InChI=1S/C31H42ClNO2/c32-29-22-18-27(19-23-29)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-26-33-30-24-20-28(21-25-30)31(34)35/h18-25,33H,1-14,16,26H2,(H,34,35)


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