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

Systemtic Name: 2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-phenyl-propionic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H29NO6/c1-16-18(10-11-25(30)29-22(26(31)32)12-17-8-6-5-7-9-17)27(33)35-24-14-23-20(13-19(16)24)21(15-34-23)28(2,3)4/h5-9,13-15,22H,10-12H2,1-4H3,(H,29,30)(H,31,32)