[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C18H20N2O4/c1-13(16(22)20-18(12-19)9-3-2-4-10-18)24-17(23)15-7-5-14(11-21)6-8-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,20,22)