6-[[1-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[1-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[1-[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]-4-phenyl-piperidine-4-carbonyl]amino]hexanoic acid CAS Name: 6-[[[1-[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[1-[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]-4-phenylpiperidine-4-carbonyl]amino]hexanoic acid Traditional Name: 6-[[1-[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]-4-phenyl-isonipecotoyl]amino]hexanoic acid Formula: C31H36N2O7 MolecularWeight: 548.62674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCCCCC(=O)O

InChI

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