[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC#C)NC(=O)C2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC#C)NC(=O)C2CCCCC2)OC

InChI

InChI=1S/C21H26N2O6/c1-4-10-22-19(24)13-29-21(26)15-11-17(27-2)18(28-3)12-16(15)23-20(25)14-8-6-5-7-9-14/h1,11-12,14H,5-10,13H2,2-3H3,(H,22,24)(H,23,25)