[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-29-21-14-19(10-11-20(21)30-15-18-8-4-2-5-9-18)23(28)31-16-22(27)26-24(17-25)12-6-3-7-13-24/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3,(H,26,27)