(3R)-1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoyl]nipecotic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C20H23NO6/c1-11-14-5-7-16(22)12(2)18(14)27-20(26)15(11)6-8-17(23)21-9-3-4-13(10-21)19(24)25/h5,7,13,22H,3-4,6,8-10H2,1-2H3,(H,24,25)/t13-/m1/s1