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

Systemtic Name: (2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanoic acid Openeye Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanoic acid CAS Name: (2S)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]valeric 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(CCC)C(=O)O)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-4-6-7-8-10-18-15(3)17-12-11-16(13-20(17)30-23(18)28)29-14-21(25)24-19(9-5-2)22(26)27/h11-13,19H,4-10,14H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1