[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(m-anisidino)ethoxy]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C21H20N2O6/c1-3-11-22-19(24)13-29-21(26)15-7-9-17(10-8-15)28-14-20(25)23-16-5-4-6-18(12-16)27-2/h1,4-10,12H,11,13-14H2,2H3,(H,22,24)(H,23,25)