[1-(2-azanylpropanoylamino)-4-[(2-oxidanylidene-3,4-dihydrochromen-7-yl)oxy]butan-2-yl] nonanoate

Systemtic Name: [1-(2-azanylpropanoylamino)-4-[(2-oxidanylidene-3,4-dihydrochromen-7-yl)oxy]butan-2-yl] nonanoate Openeye Name: [1-[(2-aminopropanoylamino)methyl]-3-(2-oxochroman-7-yl)oxy-propyl] nonanoate CAS Name: nonanoic acid [1-[(2-amino-1-oxopropyl)amino]-4-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]butan-2-yl] ester IUPAC Name: [1-(2-aminopropanoylamino)-4-[(2-oxo-3,4-dihydrochromen-7-yl)oxy]butan-2-yl] nonanoate Traditional Name: pelargonic acid [1-[(alanylamino)methyl]-3-(2-ketochroman-7-yl)oxy-propyl] ester Formula: C25H38N2O6 MolecularWeight: 462.57902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(CCOC1=CC2=C(CCC(=O)O2)C=C1)CNC(=O)C(C)N

Isomeric SMILES

CCCCCCCCC(=O)OC(CCOC1=CC2=C(CCC(=O)O2)C=C1)CNC(=O)C(C)N

InChI

InChI=1S/C25H38N2O6/c1-3-4-5-6-7-8-9-23(28)32-21(17-27-25(30)18(2)26)14-15-31-20-12-10-19-11-13-24(29)33-22(19)16-20/h10,12,16,18,21H,3-9,11,13-15,17,26H2,1-2H3,(H,27,30)