methyl 4-[[2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C21H21NO7/c1-27-18-11-14(5-9-17(18)23)6-10-20(25)29-13-19(24)22-12-15-3-7-16(8-4-15)21(26)28-2/h3-11,23H,12-13H2,1-2H3,(H,22,24)/b10-6+