2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoic acid

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoic acid Openeye Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]pentanoic acid CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]pentanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]valeric acid Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CCC)C(=O)O)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CCC)C(=O)O)C)OC1=O)C

InChI

InChI=1S/C25H35NO6/c1-6-8-9-10-12-19-15(3)18-13-14-21(16(4)22(18)32-25(19)30)31-17(5)23(27)26-20(11-7-2)24(28)29/h13-14,17,20H,6-12H2,1-5H3,(H,26,27)(H,28,29)