(3R)-1-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)acetyl]nipecotic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCCC(C3)C(=O)O)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCC[C@H](C3)C(=O)O)C)C(=C1)OC

InChI

InChI=1S/C20H23NO6/c1-11-7-15(26-3)18-12(2)14(20(25)27-16(18)8-11)9-17(22)21-6-4-5-13(10-21)19(23)24/h7-8,13H,4-6,9-10H2,1-3H3,(H,23,24)/t13-/m1/s1