2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pent-2-enoate

Systemtic Name: 2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pent-2-enoate Openeye Name: 2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(3-phenylisoxazol-5-yl)methylamino]pent-2-enoate CAS Name: (Z)-2-cyano-4-methyl-3-[(3-phenyl-5-isoxazolyl)methylamino]-2-pentenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pent-2-enoate Traditional Name: (Z)-2-cyano-4-methyl-3-[(3-phenylisoxazol-5-yl)methylamino]pent-2-enoic acid 2-ethoxyethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(C(C)C)NCC1=CC(=NO1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(/C(C)C)\NCC1=CC(=NO1)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H25N3O4/c1-4-26-10-11-27-21(25)18(13-22)20(15(2)3)23-14-17-12-19(24-28-17)16-8-6-5-7-9-16/h5-9,12,15,23H,4,10-11,14H2,1-3H3/b20-18-