ethyl (2S)-2-cyano-3-[(3-methoxy-4-phenylmethoxy-phenyl)methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(3-methoxy-4-phenylmethoxy-phenyl)methylimino]propanoate Openeye Name: ethyl (2S)-3-[(4-benzyloxy-3-methoxy-phenyl)methylimino]-2-cyano-propanoate CAS Name: (2S)-2-cyano-3-[(3-methoxy-4-phenylmethoxyphenyl)methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(3-methoxy-4-phenylmethoxyphenyl)methylimino]propanoate Traditional Name: (2S)-3-(4-benzoxy-3-methoxy-benzyl)imino-2-cyano-propionic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C#N

InChI

InChI=1S/C21H22N2O4/c1-3-26-21(24)18(12-22)14-23-13-17-9-10-19(20(11-17)25-2)27-15-16-7-5-4-6-8-16/h4-11,14,18H,3,13,15H2,1-2H3/t18-/m1/s1