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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-20(17(12-18)9-3-2-4-10-17)15(21)11-23-16(22)13-5-7-14(19)8-6-13/h5-8H,2-4,9-11,19H2,1H3