ethyl 5-[3-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoate

Systemtic Name: ethyl 5-[3-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoate Openeye Name: ethyl 5-[3-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]pentanoate CAS Name: 5-[3-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]pentanoate Traditional Name: 5-[3-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]valeric acid ethyl ester Formula: C34H36N2O6 MolecularWeight: 568.65944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=CC(=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=CC(=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C34H36N2O6/c1-3-40-34(37)17-7-8-22-41-30-13-9-14-31(23-30)42-29-20-18-28(19-21-29)25-35(24-27-11-5-4-6-12-27)32-15-10-16-33(26(32)2)36(38)39/h4-6,9-16,18-21,23H,3,7-8,17,22,24-25H2,1-2H3