(2R,3S)-1,2-bis(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2R,3S)-1,2-bis(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2R,3S)-1,2-bis(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3S)-1,2-bis(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3S)-6-keto-1,2-bis(4-methoxyphenyl)nipecotic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H21NO5/c1-25-15-7-3-13(4-8-15)19-17(20(23)24)11-12-18(22)21(19)14-5-9-16(26-2)10-6-14/h3-10,17,19H,11-12H2,1-2H3,(H,23,24)/t17-,19-/m0/s1