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

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid Formula: C28H33NO6 MolecularWeight: 479.56472

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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)C)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)C)OC1=O)C

InChI

InChI=1S/C28H33NO6/c1-5-6-7-11-14-22-17(2)21-15-16-23(18(3)25(21)35-28(22)33)34-19(4)26(30)29-24(27(31)32)20-12-9-8-10-13-20/h8-10,12-13,15-16,19,24H,5-7,11,14H2,1-4H3,(H,29,30)(H,31,32)