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

Systemtic Name: tert-butyl (E)-4-[[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]methyl]-5-phenyl-pent-2-enoate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC(CC1=CC=CC=C1)CNC(=O)CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C(CC1=CC=CC=C1)CNC(=O)CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C25H31NO5/c1-25(2,3)31-24(29)13-11-20(14-18-8-6-5-7-9-18)17-26-23(28)16-19-10-12-21(27)22(15-19)30-4/h5-13,15,20,27H,14,16-17H2,1-4H3,(H,26,28)/b13-11+