methyl 2-[1-(3-nitrophenyl)propyl]-3-oxidanyl-5-phenethyl-5-[(4-phenylphenoxy)methoxy]octanoate

Systemtic Name: methyl 2-[1-(3-nitrophenyl)propyl]-3-oxidanyl-5-phenethyl-5-[(4-phenylphenoxy)methoxy]octanoate Openeye Name: methyl 3-hydroxy-2-[1-(3-nitrophenyl)propyl]-5-phenethyl-5-[(4-phenylphenoxy)methoxy]octanoate CAS Name: 3-hydroxy-2-[1-(3-nitrophenyl)propyl]-5-phenethyl-5-[(4-phenylphenoxy)methoxy]octanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[1-(3-nitrophenyl)propyl]-5-phenethyl-5-[(4-phenylphenoxy)methoxy]octanoate Traditional Name: 3-hydroxy-2-[1-(3-nitrophenyl)propyl]-5-phenethyl-5-[(4-phenylphenoxy)methoxy]caprylic acid methyl ester Formula: C39H45NO7 MolecularWeight: 639.7771

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=CC=C1)(CC(C(C(CC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)O)OCOC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(CCC1=CC=CC=C1)(CC(C(C(CC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)O)OCOC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C39H45NO7/c1-4-24-39(25-23-29-13-8-6-9-14-29,47-28-46-34-21-19-31(20-22-34)30-15-10-7-11-16-30)27-36(41)37(38(42)45-3)35(5-2)32-17-12-18-33(26-32)40(43)44/h6-22,26,35-37,41H,4-5,23-25,27-28H2,1-3H3