4-[7-[2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]heptanoyl-cyclohexyl-amino]butyl ethanoate

Systemtic Name: 4-[7-[2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]heptanoyl-cyclohexyl-amino]butyl ethanoate Openeye Name: 4-[7-[2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]heptanoyl-cyclohexyl-amino]butyl acetate CAS Name: acetic acid 4-[[7-[2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]-1-oxoheptyl]-cyclohexylamino]butyl ester IUPAC Name: 4-[7-[2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]heptanoyl-cyclohexylamino]butyl acetate Traditional Name: acetic acid 4-[7-[2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]heptanoyl-cyclohexyl-amino]butyl ester Formula: C27H41ClN2O7 MolecularWeight: 541.07664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41ClN2O7/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/h15-16,20,22,31H,3-14,17-19H2,1-2H3