3-[[1-[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[2-(5,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]-4-phenyl-piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[2-(5,7-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]-4-phenylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[2-(2-keto-5,7-dimethoxy-4-methyl-chromen-3-yl)acetyl]-4-phenyl-isonipecotoyl]amino]propionic acid Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C29H32N2O8/c1-18-21(27(35)39-23-16-20(37-2)15-22(38-3)26(18)23)17-24(32)31-13-10-29(11-14-31,19-7-5-4-6-8-19)28(36)30-12-9-25(33)34/h4-8,15-16H,9-14,17H2,1-3H3,(H,30,36)(H,33,34)