1-[[3,5-di(butan-2-yl)-4-methoxy-phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[3,5-di(butan-2-yl)-4-methoxy-phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methoxy-3,5-disec-butyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[3,5-di(butan-2-yl)-4-methoxyphenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[3,5-di(butan-2-yl)-4-methoxyphenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-methoxy-3,5-disec-butyl-benzyl)nipecotic acid Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C22H35NO3/c1-6-15(3)19-11-17(12-20(16(4)7-2)21(19)26-5)13-23-10-8-9-18(14-23)22(24)25/h11-12,15-16,18H,6-10,13-14H2,1-5H3,(H,24,25)