2-[2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H24N2O7/c1-12-8-22(29)34-23-13(2)21(7-5-17(12)23)33-14(3)24(30)27-20(25(31)32)9-15-11-26-19-6-4-16(28)10-18(15)19/h4-8,10-11,14,20,26,28H,9H2,1-3H3,(H,27,30)(H,31,32)