2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid CAS Name: 2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: 2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O)OC1=O)C

InChI

InChI=1S/C27H31NO6/c1-4-5-6-10-13-22-17(2)21-15-14-20(16-23(21)34-27(22)32)33-18(3)25(29)28-24(26(30)31)19-11-8-7-9-12-19/h7-9,11-12,14-16,18,24H,4-6,10,13H2,1-3H3,(H,28,29)(H,30,31)