methyl 4-[[(5-methoxy-5-oxidanylidene-pentyl)-[2-(2-prop-2-enoxyphenyl)ethyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-methoxy-5-oxidanylidene-pentyl)-[2-(2-prop-2-enoxyphenyl)ethyl]amino]methyl]benzoate Openeye Name: methyl 4-[[2-(2-allyloxyphenyl)ethyl-(5-methoxy-5-oxo-pentyl)amino]methyl]benzoate CAS Name: 4-[[(5-methoxy-5-oxopentyl)-[2-(2-prop-2-enoxyphenyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-methoxy-5-oxopentyl)-[2-(2-prop-2-enoxyphenyl)ethyl]amino]methyl]benzoate Traditional Name: 4-[[2-(2-allyloxyphenyl)ethyl-(5-keto-5-methoxy-pentyl)amino]methyl]benzoic acid methyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN(CCC1=CC=CC=C1OCC=C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)CCCCN(CCC1=CC=CC=C1OCC=C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C26H33NO5/c1-4-19-32-24-10-6-5-9-22(24)16-18-27(17-8-7-11-25(28)30-2)20-21-12-14-23(15-13-21)26(29)31-3/h4-6,9-10,12-15H,1,7-8,11,16-20H2,2-3H3