1-[cyclohexyl-[4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]butanoyl]amino]pentyl ethanoate

Systemtic Name: 1-[cyclohexyl-[4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]butanoyl]amino]pentyl ethanoate Openeye Name: 1-[cyclohexyl-[4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]butanoyl]amino]pentyl acetate CAS Name: acetic acid 1-[cyclohexyl-[4-[3-(1-hydroxyethyl)-2-nitrophenoxy]-1-oxobutyl]amino]pentyl ester IUPAC Name: 1-[cyclohexyl-[4-[3-(1-hydroxyethyl)-2-nitrophenoxy]butanoyl]amino]pentyl acetate Traditional Name: acetic acid 1-[cyclohexyl-[4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]butanoyl]amino]pentyl ester Formula: C25H38N2O7 MolecularWeight: 478.57842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(N(C1CCCCC1)C(=O)CCCOC2=CC=CC(=C2[N+](=O)[O-])C(C)O)OC(=O)C

Isomeric SMILES

CCCCC(N(C1CCCCC1)C(=O)CCCOC2=CC=CC(=C2[N+](=O)[O-])C(C)O)OC(=O)C

InChI

InChI=1S/C25H38N2O7/c1-4-5-16-24(34-19(3)29)26(20-11-7-6-8-12-20)23(30)15-10-17-33-22-14-9-13-21(18(2)28)25(22)27(31)32/h9,13-14,18,20,24,28H,4-8,10-12,15-17H2,1-3H3