[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=C(C=C1)C(=O)N)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=C(C=C1)C(=O)N)C2(CCCCC2)C#N

InChI

InChI=1S/C18H21N3O4/c1-21(18(12-19)9-3-2-4-10-18)15(22)11-25-17(24)14-7-5-13(6-8-14)16(20)23/h5-8H,2-4,9-11H2,1H3,(H2,20,23)