ethyl (E)-2-cyano-3-[[4-methoxy-3-(phenylmethoxycarbonylamino)phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-methoxy-3-(phenylmethoxycarbonylamino)phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-[3-(benzyloxycarbonylamino)-4-methoxy-anilino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[4-methoxy-3-(phenylmethoxycarbonylamino)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-methoxy-3-(phenylmethoxycarbonylamino)anilino]prop-2-enoate Traditional Name: (E)-3-[3-(benzyloxycarbonylamino)-4-methoxy-anilino]-2-cyano-acrylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC(=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H21N3O5/c1-3-28-20(25)16(12-22)13-23-17-9-10-19(27-2)18(11-17)24-21(26)29-14-15-7-5-4-6-8-15/h4-11,13,23H,3,14H2,1-2H3,(H,24,26)/b16-13+