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

Systemtic Name: (3S)-1-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]nipecotic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-11-7-17(21)25-15-8-13(4-5-14(11)15)24-10-16(20)19-6-2-3-12(9-19)18(22)23/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,22,23)/t12-/m0/s1