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

Systemtic Name: 2-[3-(2,5-dimethyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Openeye Name: 2-[3-(2,5-dimethyl-7-oxo-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid CAS Name: 2-[[3-(2,5-dimethyl-7-oxo-3-phenyl-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(7-keto-2,5-dimethyl-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]valeric acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=C(O3)C)C4=CC=CC=C4)OC1=O)C

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=C(O3)C)C4=CC=CC=C4)OC1=O)C

InChI

InChI=1S/C27H27NO6/c1-4-8-21(26(30)31)28-24(29)12-11-18-15(2)19-13-20-23(14-22(19)34-27(18)32)33-16(3)25(20)17-9-6-5-7-10-17/h5-7,9-10,13-14,21H,4,8,11-12H2,1-3H3,(H,28,29)(H,30,31)