1-[cyclohexyl-[6-[3-(1-hydroxyethyl)-4-nitro-phenoxy]hexanoyl]amino]propyl ethanoate

Systemtic Name: 1-[cyclohexyl-[6-[3-(1-hydroxyethyl)-4-nitro-phenoxy]hexanoyl]amino]propyl ethanoate Openeye Name: 1-[cyclohexyl-[6-[3-(1-hydroxyethyl)-4-nitro-phenoxy]hexanoyl]amino]propyl acetate CAS Name: acetic acid 1-[cyclohexyl-[6-[3-(1-hydroxyethyl)-4-nitrophenoxy]-1-oxohexyl]amino]propyl ester IUPAC Name: 1-[cyclohexyl-[6-[3-(1-hydroxyethyl)-4-nitrophenoxy]hexanoyl]amino]propyl acetate Traditional Name: acetic acid 1-[cyclohexyl-[6-[3-(1-hydroxyethyl)-4-nitro-phenoxy]hexanoyl]amino]propyl ester Formula: C25H38N2O7 MolecularWeight: 478.57842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C1CCCCC1)C(=O)CCCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C(C)O)OC(=O)C

Isomeric SMILES

CCC(N(C1CCCCC1)C(=O)CCCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C(C)O)OC(=O)C

InChI

InChI=1S/C25H38N2O7/c1-4-25(34-19(3)29)26(20-11-7-5-8-12-20)24(30)13-9-6-10-16-33-21-14-15-23(27(31)32)22(17-21)18(2)28/h14-15,17-18,20,25,28H,4-13,16H2,1-3H3