(2R)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid Traditional Name: (2R)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyric acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(C(C)C)C(=O)O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N[C@H](C(C)C)C(=O)O)OC1=O)C

InChI

InChI=1S/C23H31NO6/c1-5-6-7-8-9-18-15(4)17-11-10-16(12-19(17)30-23(18)28)29-13-20(25)24-21(14(2)3)22(26)27/h10-12,14,21H,5-9,13H2,1-4H3,(H,24,25)(H,26,27)/t21-/m1/s1