2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid; 2-oxidanyl-3-(1-phenylpropyl)chromen-4-one

Systemtic Name: 2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid; 2-oxidanyl-3-(1-phenylpropyl)chromen-4-one Openeye Name: 2,5-diamino-5-oxo-pentanoic acid; 2-hydroxy-3-(1-phenylpropyl)chromen-4-one CAS Name: 2,5-diamino-5-oxopentanoic acid; 2-hydroxy-3-(1-phenylpropyl)-1-benzopyran-4-one IUPAC Name: 2,5-diamino-5-oxopentanoic acid; 2-hydroxy-3-(1-phenylpropyl)chromen-4-one Traditional Name: 2,5-diamino-5-keto-valeric acid; 2-hydroxy-3-(1-phenylpropyl)chromone Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.C(CC(=O)N)C(C(=O)O)N

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.C(CC(=O)N)C(C(=O)O)N

InChI

InChI=1S/C18H16O3.C5H10N2O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20;6-3(5(9)10)1-2-4(7)8/h3-11,13,20H,2H2,1H3;3H,1-2,6H2,(H2,7,8)(H,9,10)