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

Systemtic Name: methyl 4-[[3-[(4-hexanoyl-3-methoxy-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-[(4-hexanoyl-3-methoxy-phenoxy)methyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-[[3-methoxy-4-(1-oxohexyl)phenoxy]methyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-hexanoyl-3-methoxyphenoxy)methyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-[(4-caproyl-3-methoxy-phenoxy)methyl]anilino]-4-keto-butyric acid methyl ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6/c1-4-5-6-10-22(27)21-12-11-20(16-23(21)30-2)32-17-18-8-7-9-19(15-18)26-24(28)13-14-25(29)31-3/h7-9,11-12,15-16H,4-6,10,13-14,17H2,1-3H3,(H,26,28)