2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(4-chlorophenyl)propanoic acid

Systemtic Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(4-chlorophenyl)propanoic acid Openeye Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(4-chlorophenyl)propanoic acid CAS Name: 2-[[3-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)propanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-(4-chlorophenyl)propanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(4-chlorophenyl)propionic acid Formula: C29H30ClNO6 MolecularWeight: 524.0046

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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(CC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C29H30ClNO6/c1-15-19(10-11-24(32)31-23(27(33)34)12-17-6-8-18(30)9-7-17)28(35)37-26-16(2)25-21(13-20(15)26)22(14-36-25)29(3,4)5/h6-9,13-14,23H,10-12H2,1-5H3,(H,31,32)(H,33,34)