1-[(4-ethoxy-2-propan-2-yl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-2-propan-2-yl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxy-2-isopropyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxy-2-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-2-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-ethoxy-2-isopropyl-benzyl)nipecotic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)CN2CCCC(C2)C(=O)O)C(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)CN2CCCC(C2)C(=O)O)C(C)C

InChI

InChI=1S/C18H27NO3/c1-4-22-16-8-7-14(17(10-16)13(2)3)11-19-9-5-6-15(12-19)18(20)21/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3,(H,20,21)