[4-[[3-[4-(butanoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]-propan-2-yl-amino]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[[3-[4-(butanoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]-propan-2-yl-amino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[[3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxy-propyl]-isopropyl-amino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[[3-[2-acetyl-4-(1-oxobutylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-4-oxobutyl] ester IUPAC Name: [4-[[3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[[3-(2-acetyl-4-butyramido-phenoxy)-2-hydroxy-propyl]-isopropyl-amino]-4-keto-butyl] ester Formula: C22H33N3O8 MolecularWeight: 467.51272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(CN(C(C)C)C(=O)CCCO[N+](=O)[O-])O)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(CN(C(C)C)C(=O)CCCO[N+](=O)[O-])O)C(=O)C

InChI

InChI=1S/C22H33N3O8/c1-5-7-21(28)23-17-9-10-20(19(12-17)16(4)26)32-14-18(27)13-24(15(2)3)22(29)8-6-11-33-25(30)31/h9-10,12,15,18,27H,5-8,11,13-14H2,1-4H3,(H,23,28)