(3S)-1-[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-isopropoxyphenyl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-isopropoxyphenyl)-2-keto-ethyl]nipecotic acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C17H23NO4/c1-12(2)22-15-7-5-13(6-8-15)16(19)11-18-9-3-4-14(10-18)17(20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,20,21)/t14-/m0/s1