(E)-3-[2-(2-azanyl-4-oxidanylidene-4-phenylmethoxy-butoxy)-4-cyano-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-azanyl-4-oxidanylidene-4-phenylmethoxy-butoxy)-4-cyano-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-amino-4-benzyloxy-4-oxo-butoxy)-4-cyano-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-amino-4-oxo-4-phenylmethoxybutoxy)-4-cyanophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-amino-4-oxo-4-phenylmethoxybutoxy)-4-cyanophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-amino-4-benzoxy-4-keto-butoxy)-4-cyano-phenyl]acrylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(COC2=C(C=CC(=C2)C#N)C=CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(COC2=C(C=CC(=C2)C#N)/C=C/C(=O)O)N

InChI

InChI=1S/C21H20N2O5/c22-12-16-6-7-17(8-9-20(24)25)19(10-16)27-14-18(23)11-21(26)28-13-15-4-2-1-3-5-15/h1-10,18H,11,13-14,23H2,(H,24,25)/b9-8+