[4-(hept-5-ynoylamino)phenyl] hept-5-ynoate

Systemtic Name: [4-(hept-5-ynoylamino)phenyl] hept-5-ynoate Openeye Name: [4-(hept-5-ynoylamino)phenyl] hept-5-ynoate CAS Name: 5-heptynoic acid [4-(1-oxohept-5-ynylamino)phenyl] ester IUPAC Name: [4-(hept-5-ynoylamino)phenyl] hept-5-ynoate Traditional Name: hept-5-ynoic acid [4-(hept-5-ynoylamino)phenyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCC(=O)NC1=CC=C(C=C1)OC(=O)CCCC#CC

Isomeric SMILES

CC#CCCCC(=O)NC1=CC=C(C=C1)OC(=O)CCCC#CC

InChI

InChI=1S/C20H23NO3/c1-3-5-7-9-11-19(22)21-17-13-15-18(16-14-17)24-20(23)12-10-8-6-4-2/h13-16H,7-12H2,1-2H3,(H,21,22)