1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopentyloxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-isoamoxy-3-methoxy-benzyl)nipecotic acid Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4/c1-14(2)8-10-24-17-7-6-15(11-18(17)23-3)12-20-9-4-5-16(13-20)19(21)22/h6-7,11,14,16H,4-5,8-10,12-13H2,1-3H3,(H,21,22)