methyl (1S,3S,4R)-1,2,2-tricyano-3-(4-methoxyphenyl)-4-methyl-cyclobutane-1-carboxylate

Systemtic Name: methyl (1S,3S,4R)-1,2,2-tricyano-3-(4-methoxyphenyl)-4-methyl-cyclobutane-1-carboxylate Openeye Name: methyl (1S,3S,4R)-1,2,2-tricyano-3-(4-methoxyphenyl)-4-methyl-cyclobutanecarboxylate CAS Name: (1S,3S,4R)-1,2,2-tricyano-3-(4-methoxyphenyl)-4-methyl-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4R)-1,2,2-tricyano-3-(4-methoxyphenyl)-4-methylcyclobutane-1-carboxylate Traditional Name: (1S,3S,4R)-1,2,2-tricyano-3-(4-methoxyphenyl)-4-methyl-cyclobutanecarboxylic acid methyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C1(C#N)C(=O)OC)(C#N)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H]1[C@H](C([C@@]1(C#N)C(=O)OC)(C#N)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H15N3O3/c1-11-14(12-4-6-13(22-2)7-5-12)16(8-18,9-19)17(11,10-20)15(21)23-3/h4-7,11,14H,1-3H3/t11-,14+,17-/m1/s1