2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-chromen-8-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromen-8-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-chromen-8-yl]methylamino]-3-phenyl-propionic acid Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4CNC(CC5=CC=CC=C5)C(=O)O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4CNC(CC5=CC=CC=C5)C(=O)O)O

InChI

InChI=1S/C27H23NO7/c29-22-8-7-18-25(30)20(17-6-9-23-24(13-17)34-11-10-33-23)15-35-26(18)19(22)14-28-21(27(31)32)12-16-4-2-1-3-5-16/h1-9,13,15,21,28-29H,10-12,14H2,(H,31,32)