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

Systemtic Name: (3S)-1-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]nipecotic acid Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H21NO6/c25-21(24-10-4-7-16(13-24)23(27)28)14-29-17-8-9-18-19(15-5-2-1-3-6-15)12-22(26)30-20(18)11-17/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,27,28)/t16-/m0/s1