3-(1H-indol-3-yl)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]propionic acid Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C25H24N2O6/c1-14-17-8-7-16(32-2)12-22(17)33-25(31)18(14)9-10-23(28)27-21(24(29)30)11-15-13-26-20-6-4-3-5-19(15)20/h3-8,12-13,21,26H,9-11H2,1-2H3,(H,27,28)(H,29,30)