[6-(2-azanylethanoyloxy)-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-yl] octanoate

Systemtic Name: [6-(2-azanylethanoyloxy)-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-yl] octanoate Openeye Name: [6-(2-aminoacetyl)oxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-yl] octanoate CAS Name: octanoic acid [6-(2-amino-1-oxoethoxy)-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-5-yl] ester IUPAC Name: [6-(2-aminoacetyl)oxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-yl] octanoate Traditional Name: caprylic acid (6-glycyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-yl) ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)CN

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)CN

InChI

InChI=1S/C25H33NO5/c1-4-5-6-7-8-13-20(27)29-24-19-14-15-25(2,3)31-22(19)17-11-9-10-12-18(17)23(24)30-21(28)16-26/h9-12H,4-8,13-16,26H2,1-3H3