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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4/c1-15(22-18(25)16-9-5-3-6-10-16)19(26)27-13-17(24)23(2)20(14-21)11-7-4-8-12-20/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,22,25)