[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2-methylpropyl)benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H20N2O3/c1-11(2)8-13-4-6-14(7-5-13)17(21)22-10-16(20)15(9-18)12(3)19/h4-7,11,15,19H,8,10H2,1-3H3/t15-/m0/s1