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2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]ethanoic acid

2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]ethanoic acid

Systemtic Name:2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]ethanoic acid
Openeye Name:2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]acetic acid
CAS Name:2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]acetic acid
IUPAC Name:2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]acetic acid
Traditional Name:2-[4-[17-(4-chlorophenyl)heptadec-16-ynylamino]phenyl]acetic acid
Formula: C31H42ClNO2
MolecularWeight: 496.12368
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NCCCCCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl


Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NCCCCCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl


InChI

InChI=1S/C31H42ClNO2/c32-29-21-17-27(18-22-29)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-25-33-30-23-19-28(20-24-30)26-31(34)35/h17-24,33H,1-13,15,25-26H2,(H,34,35)


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