5-[bis(azanyl)methylideneazaniumyl]-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]pentanoate

Systemtic Name: 5-[bis(azanyl)methylideneazaniumyl]-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]pentanoate Openeye Name: 5-(diaminomethyleneammonio)-2-[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]pentanoate CAS Name: 5-(diaminomethylideneammonio)-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]pentanoate IUPAC Name: 5-(diaminomethylideneazaniumyl)-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]pentanoate Traditional Name: 5-(diaminomethyleneammonio)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]valerate Formula: C24H26N4O6 MolecularWeight: 466.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O6/c1-14(22(30)28-19(23(31)32)8-5-11-27-24(25)26)33-16-9-10-17-18(15-6-3-2-4-7-15)13-21(29)34-20(17)12-16/h2-4,6-7,9-10,12-14,19H,5,8,11H2,1H3,(H,28,30)(H,31,32)(H4,25,26,27)