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

Systemtic Name: ethyl 4-[2-chloranyl-5-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoate Openeye Name: ethyl 4-[5-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]-2-chloro-phenoxy]butanoate CAS Name: 4-[2-chloro-5-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]-2-chlorophenoxy]butanoate Traditional Name: 4-[5-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]-2-chloro-phenoxy]butyric acid ethyl ester Formula: C33H33ClN2O6 MolecularWeight: 589.07792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC(=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC(=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C33H33ClN2O6/c1-3-40-33(37)13-8-20-41-32-21-28(18-19-29(32)34)42-27-16-14-26(15-17-27)23-35(22-25-9-5-4-6-10-25)30-11-7-12-31(24(30)2)36(38)39/h4-7,9-12,14-19,21H,3,8,13,20,22-23H2,1-2H3