1-[(4-ethoxy-3-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C25H33NO7 MolecularWeight: 459.53202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C25H33NO7/c1-6-33-19-10-9-16(12-20(19)29-2)23(26-11-7-8-17(15-26)25(27)28)18-13-21(30-3)24(32-5)22(14-18)31-4/h9-10,12-14,17,23H,6-8,11,15H2,1-5H3,(H,27,28)