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

Systemtic Name: 6-[cyclohexyl-[4-[2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl]amino]hexyl ethanoate Openeye Name: 6-[cyclohexyl-[4-[2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl]amino]hexyl acetate CAS Name: acetic acid 6-[cyclohexyl-[4-[2-(1-hydroxyethyl)-3-nitrophenoxy]-1-oxobutyl]amino]hexyl ester IUPAC Name: 6-[cyclohexyl-[4-[2-(1-hydroxyethyl)-3-nitrophenoxy]butanoyl]amino]hexyl acetate Traditional Name: acetic acid 6-[cyclohexyl-[4-[2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl]amino]hexyl ester Formula: C26H40N2O7 MolecularWeight: 492.605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1OCCCC(=O)N(CCCCCCOC(=O)C)C2CCCCC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C=CC=C1OCCCC(=O)N(CCCCCCOC(=O)C)C2CCCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C26H40N2O7/c1-20(29)26-23(28(32)33)14-10-15-24(26)35-19-11-16-25(31)27(22-12-6-5-7-13-22)17-8-3-4-9-18-34-21(2)30/h10,14-15,20,22,29H,3-9,11-13,16-19H2,1-2H3