methyl 4-[[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(4-cyano-2-methoxyphenoxy)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-cyano-2-methoxyphenoxy)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]methyl]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-26-19-12-16(13-22)7-10-18(19)28-11-3-4-20(24)23-14-15-5-8-17(9-6-15)21(25)27-2/h5-10,12H,3-4,11,14H2,1-2H3,(H,23,24)