5-[7-oxidanyl-2-oxidanylidene-8-(phenylazanylmethyl)chromen-4-yl]pentanoic acid

Systemtic Name: 5-[7-oxidanyl-2-oxidanylidene-8-(phenylazanylmethyl)chromen-4-yl]pentanoic acid Openeye Name: 5-[8-(anilinomethyl)-7-hydroxy-2-oxo-chromen-4-yl]pentanoic acid CAS Name: 5-[8-(anilinomethyl)-7-hydroxy-2-oxo-1-benzopyran-4-yl]pentanoic acid IUPAC Name: 5-[8-(anilinomethyl)-7-hydroxy-2-oxochromen-4-yl]pentanoic acid Traditional Name: 5-[8-(anilinomethyl)-7-hydroxy-2-keto-chromen-4-yl]valeric acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C=C3CCCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C=C3CCCCC(=O)O)O

InChI

InChI=1S/C21H21NO5/c23-18-11-10-16-14(6-4-5-9-19(24)25)12-20(26)27-21(16)17(18)13-22-15-7-2-1-3-8-15/h1-3,7-8,10-12,22-23H,4-6,9,13H2,(H,24,25)