(3S)-1-[2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]nipecotic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-11-8-17(22)26-18-12(2)15(6-5-14(11)18)25-10-16(21)20-7-3-4-13(9-20)19(23)24/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,23,24)/t13-/m0/s1