ethyl (2R)-3-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]imino-2-cyano-propanoate

Systemtic Name: ethyl (2R)-3-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]imino-2-cyano-propanoate Openeye Name: ethyl (2R)-3-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]imino-2-cyano-propanoate CAS Name: (2R)-3-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]imino-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]imino-2-cyanopropanoate Traditional Name: (2R)-3-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]imino-2-cyano-propionic acid ethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(CC(C)C)C1=NC2=CC=CC=C2O1)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=N[C@H](CC(C)C)C1=NC2=CC=CC=C2O1)C#N

InChI

InChI=1S/C18H21N3O3/c1-4-23-18(22)13(10-19)11-20-15(9-12(2)3)17-21-14-7-5-6-8-16(14)24-17/h5-8,11-13,15H,4,9H2,1-3H3/t13-,15+/m0/s1