(3S)-1-[2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxidanylidene-chromen-3-yl]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxidanylidene-chromen-3-yl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-[4-methyl-7-(2-methylallyloxy)-2-oxo-chromen-3-yl]acetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxo-1-benzopyran-3-yl]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-[2-keto-4-methyl-7-(2-methylallyloxy)chromen-3-yl]acetyl]nipecotic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCC[C@@H](C3)C(=O)O

InChI

InChI=1S/C22H25NO6/c1-13(2)12-28-16-6-7-17-14(3)18(22(27)29-19(17)9-16)10-20(24)23-8-4-5-15(11-23)21(25)26/h6-7,9,15H,1,4-5,8,10-12H2,2-3H3,(H,25,26)/t15-/m0/s1