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

Systemtic Name: 2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-3-phenyl-propionic 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(CC3=CC=CC=C3)C(=O)O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)OC1=O)C

InChI

InChI=1S/C28H33NO6/c1-4-5-6-10-13-23-18(2)22-15-14-21(17-25(22)35-28(23)33)34-19(3)26(30)29-24(27(31)32)16-20-11-8-7-9-12-20/h7-9,11-12,14-15,17,19,24H,4-6,10,13,16H2,1-3H3,(H,29,30)(H,31,32)