2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoic acid

Systemtic Name: 2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoic acid Openeye Name: 2-[2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoylamino]pentanoic acid CAS Name: 2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[2-(4-butyl-2-oxochromen-7-yl)oxypropanoylamino]pentanoic acid Traditional Name: 2-[2-(4-butyl-2-keto-chromen-7-yl)oxypropanoylamino]valeric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCC)C(=O)O

InChI

InChI=1S/C21H27NO6/c1-4-6-8-14-11-19(23)28-18-12-15(9-10-16(14)18)27-13(3)20(24)22-17(7-5-2)21(25)26/h9-13,17H,4-8H2,1-3H3,(H,22,24)(H,25,26)