5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4-(4-oxo-1-benzopyran-7-yl)-4-morpholin-4-iumcarboxylic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4-(4-ketochromen-7-yl)morpholin-4-ium-4-carboxylic acid Formula: C25H26NO7+ MolecularWeight: 452.47644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+](C(CO1)C2=CC3=C(C=C2)OCCCO3)(C4=CC5=C(C=C4)C(=O)C=CO5)C(=O)O

Isomeric SMILES

CCC1C[N+](C(CO1)C2=CC3=C(C=C2)OCCCO3)(C4=CC5=C(C=C4)C(=O)C=CO5)C(=O)O

InChI

InChI=1S/C25H25NO7/c1-2-18-14-26(25(28)29,17-5-6-19-21(27)8-11-32-23(19)13-17)20(15-33-18)16-4-7-22-24(12-16)31-10-3-9-30-22/h4-8,11-13,18,20H,2-3,9-10,14-15H2,1H3/p+1