methyl 4-[[3-[(4-hexyl-3-methoxy-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-[(4-hexyl-3-methoxy-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-[(4-hexyl-3-methoxy-phenoxy)methyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-[(4-hexyl-3-methoxyphenoxy)methyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-hexyl-3-methoxyphenoxy)methyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-[(4-hexyl-3-methoxy-phenoxy)methyl]anilino]-4-keto-butyric acid methyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCC(=O)OC)OC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCC(=O)OC)OC

InChI

InChI=1S/C25H33NO5/c1-4-5-6-7-10-20-12-13-22(17-23(20)29-2)31-18-19-9-8-11-21(16-19)26-24(27)14-15-25(28)30-3/h8-9,11-13,16-17H,4-7,10,14-15,18H2,1-3H3,(H,26,27)