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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1C(=O)N(C)C2CCCCC2)N

Isomeric SMILES

C/C(=C(\C#N)/C(=O)COC(=O)C1=CC=CC=C1C(=O)N(C)C2CCCCC2)/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/h6-7,10-11,15H,3-5,8-9,13,23H2,1-2H3/b18-14-