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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H28N2O4/c1-2-3-7-14-26-18-10-8-17(9-11-18)20(25)27-15-19(24)23-21(16-22)12-5-4-6-13-21/h8-11H,2-7,12-15H2,1H3,(H,23,24)