2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-2-phenyl-acetic acid CAS Name: 2-[[3-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-2-phenylacetic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-2-phenyl-acetic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H29NO6/c1-15-18(11-12-22(30)29-23(26(31)32)17-9-7-6-8-10-17)27(33)35-25-16(2)24-20(13-19(15)25)21(14-34-24)28(3,4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,29,30)(H,31,32)