methyl (E)-4-[[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]methyl]-5-phenyl-pent-2-enoate

Systemtic Name: methyl (E)-4-[[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]methyl]-5-phenyl-pent-2-enoate Openeye Name: methyl (E)-4-benzyl-5-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]pent-2-enoate CAS Name: (E)-4-[[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]methyl]-5-phenyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-benzyl-5-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]pent-2-enoate Traditional Name: (E)-4-benzyl-5-(homovanilloylamino)pent-2-enoic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)NCC(CC2=CC=CC=C2)C=CC(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)NCC(CC2=CC=CC=C2)/C=C/C(=O)OC)O

InChI

InChI=1S/C22H25NO5/c1-27-20-13-17(8-10-19(20)24)14-21(25)23-15-18(9-11-22(26)28-2)12-16-6-4-3-5-7-16/h3-11,13,18,24H,12,14-15H2,1-2H3,(H,23,25)/b11-9+