7-[3-chloranyl-5-(1-hydroxyethyl)-4-nitro-phenoxy]-N-hexyl-N-phenyl-heptanamide

Systemtic Name: 7-[3-chloranyl-5-(1-hydroxyethyl)-4-nitro-phenoxy]-N-hexyl-N-phenyl-heptanamide Openeye Name: 7-[3-chloro-5-(1-hydroxyethyl)-4-nitro-phenoxy]-N-hexyl-N-phenyl-heptanamide CAS Name: 7-[3-chloro-5-(1-hydroxyethyl)-4-nitrophenoxy]-N-hexyl-N-phenylheptanamide IUPAC Name: 7-[3-chloro-5-(1-hydroxyethyl)-4-nitrophenoxy]-N-hexyl-N-phenylheptanamide Traditional Name: 7-[3-chloro-5-(1-hydroxyethyl)-4-nitro-phenoxy]-N-hexyl-N-phenyl-enanthamide Formula: C27H37ClN2O5 MolecularWeight: 505.04608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=CC=CC=C1)C(=O)CCCCCCOC2=CC(=C(C(=C2)C(C)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCN(C1=CC=CC=C1)C(=O)CCCCCCOC2=CC(=C(C(=C2)C(C)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H37ClN2O5/c1-3-4-5-12-17-29(22-14-9-8-10-15-22)26(32)16-11-6-7-13-18-35-23-19-24(21(2)31)27(30(33)34)25(28)20-23/h8-10,14-15,19-21,31H,3-7,11-13,16-18H2,1-2H3