(3R)-1-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylate Openeye Name: (3R)-1-[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]nipecotate Formula: C19H20NO6- MolecularWeight: 358.3652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-11-12(2)19(24)26-16-8-14(5-6-15(11)16)25-10-17(21)20-7-3-4-13(9-20)18(22)23/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,22,23)/p-1/t13-/m1/s1