[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H25N3O6/c1-2-31-19-9-6-17(7-10-19)28-24-20(5-3-12-26-24)25(30)34-16-23(29)27-18-8-11-21-22(15-18)33-14-4-13-32-21/h3,5-12,15H,2,4,13-14,16H2,1H3,(H,26,28)(H,27,29)