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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H26N2O4/c1-2-3-13-25-17-9-7-16(8-10-17)19(24)26-14-18(23)22-20(15-21)11-5-4-6-12-20/h7-10H,2-6,11-14H2,1H3,(H,22,23)