2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propionic acid Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H23NO6/c1-14-13-31-21-12-22-19(11-18(14)21)15(2)17(25(30)32-22)8-9-23(27)26-20(24(28)29)10-16-6-4-3-5-7-16/h3-7,11-13,20H,8-10H2,1-2H3,(H,26,27)(H,28,29)