[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic 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] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H24N2O5/c28-23(26-16-10-11-21-22(14-16)31-13-5-12-30-21)15-32-25(29)24-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)24/h1,3,6,8,10-11,14H,2,4-5,7,9,12-13,15H2,(H,26,28)