[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate CAS Name: 2-[[cyclohexyl(methyl)amino]-oxomethyl]benzoic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate Traditional Name: 2-[cyclohexyl(methyl)carbamoyl]benzoic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=C)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)[C@@H](C#N)C(=C)N

InChI

InChI=1S/C21H25N3O4/c1-14(23)18(12-22)19(25)13-28-21(27)17-11-7-6-10-16(17)20(26)24(2)15-8-4-3-5-9-15/h6-7,10-11,15,18H,1,3-5,8-9,13,23H2,2H3/t18-/m0/s1