(3S)-1-[3-(3-methylphenoxy)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[3-(3-methylphenoxy)propanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[3-(3-methylphenoxy)propanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[3-(3-methylphenoxy)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[3-(3-methylphenoxy)propanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[3-(3-methylphenoxy)propanoyl]nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-12-4-2-6-14(10-12)21-9-7-15(18)17-8-3-5-13(11-17)16(19)20/h2,4,6,10,13H,3,5,7-9,11H2,1H3,(H,19,20)/t13-/m0/s1