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4-[13-(furan-2-yl)tridec-11-ynylamino]benzoic acid

4-[13-(furan-2-yl)tridec-11-ynylamino]benzoic acid

Systemtic Name:4-[13-(furan-2-yl)tridec-11-ynylamino]benzoic acid
Openeye Name:4-[13-(2-furyl)tridec-11-ynylamino]benzoic acid
CAS Name:4-[13-(2-furanyl)tridec-11-ynylamino]benzoic acid
IUPAC Name:4-[13-(furan-2-yl)tridec-11-ynylamino]benzoic acid
Traditional Name:4-[13-(2-furyl)tridec-11-ynylamino]benzoic acid
Formula: C24H31NO3
MolecularWeight: 381.50784
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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC#CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=COC(=C1)CC#CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C24H31NO3/c26-24(27)21-15-17-22(18-16-21)25-19-11-9-7-5-3-1-2-4-6-8-10-13-23-14-12-20-28-23/h12,14-18,20,25H,1-7,9,11,13,19H2,(H,26,27)


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