(3R)-1-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoyl]nipecotic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-11-14-5-4-13(21)9-16(14)26-19(25)15(11)6-7-17(22)20-8-2-3-12(10-20)18(23)24/h4-5,9,12,21H,2-3,6-8,10H2,1H3,(H,23,24)/t12-/m1/s1