butyl 2-[3-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]propanoate

Systemtic Name: butyl 2-[3-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]propanoate Openeye Name: butyl 2-[3-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]propanoate CAS Name: 2-[3-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]phenoxy]propanoic acid butyl ester IUPAC Name: butyl 2-[3-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]propanoate Traditional Name: 2-[3-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]propionic acid butyl ester Formula: C34H36N2O6 MolecularWeight: 568.65944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC1=CC=CC(=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C(C)OC1=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/c1-4-5-21-40-34(37)26(3)41-30-13-9-14-31(22-30)42-29-19-17-28(18-20-29)24-35(23-27-11-7-6-8-12-27)32-15-10-16-33(25(32)2)36(38)39/h6-20,22,26H,4-5,21,23-24H2,1-3H3