4-[7-(2-chloranyl-3-ethanoyl-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl ethanoate

Systemtic Name: 4-[7-(2-chloranyl-3-ethanoyl-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl ethanoate Openeye Name: 4-[7-(3-acetyl-2-chloro-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl acetate CAS Name: acetic acid 4-[[7-(3-acetyl-2-chloro-4-nitrophenoxy)-1-oxoheptyl]-cyclohexylamino]butyl ester IUPAC Name: 4-[7-(3-acetyl-2-chloro-4-nitrophenoxy)heptanoyl-cyclohexylamino]butyl acetate Traditional Name: acetic acid 4-[7-(3-acetyl-2-chloro-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl ester Formula: C27H39ClN2O7 MolecularWeight: 539.06076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1Cl)OCCCCCCC(=O)N(CCCCOC(=O)C)C2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1Cl)OCCCCCCC(=O)N(CCCCOC(=O)C)C2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C27H39ClN2O7/c1-20(31)26-23(30(34)35)15-16-24(27(26)28)37-19-10-4-3-8-14-25(33)29(22-12-6-5-7-13-22)17-9-11-18-36-21(2)32/h15-16,22H,3-14,17-19H2,1-2H3