6-[[1-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[1-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[1-[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]-4-phenyl-piperidine-4-carbonyl]amino]hexanoic acid CAS Name: 6-[[[1-[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[1-[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]-4-phenylpiperidine-4-carbonyl]amino]hexanoic acid Traditional Name: 6-[[1-[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]-4-phenyl-isonipecotoyl]amino]hexanoic acid Formula: C31H36N2O7 MolecularWeight: 548.62674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCCCCC(=O)O)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCCCCC(=O)O)C)C(=C1)O

InChI

InChI=1S/C31H36N2O7/c1-20-17-24(34)28-21(2)23(29(38)40-25(28)18-20)19-26(35)33-15-12-31(13-16-33,22-9-5-3-6-10-22)30(39)32-14-8-4-7-11-27(36)37/h3,5-6,9-10,17-18,34H,4,7-8,11-16,19H2,1-2H3,(H,32,39)(H,36,37)