1-[(4-propan-2-ylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-cumenyl-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C25H33NO5/c1-16(2)17-8-10-18(11-9-17)23(26-12-6-7-19(15-26)25(27)28)20-13-21(29-3)24(31-5)22(14-20)30-4/h8-11,13-14,16,19,23H,6-7,12,15H2,1-5H3,(H,27,28)