1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pipecolinic acid Formula: C31H37NO7 MolecularWeight: 535.62798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H37NO7/c1-5-38-26-17-22(14-15-25(26)39-20-21-11-7-6-8-12-21)29(32-16-10-9-13-24(32)31(33)34)23-18-27(35-2)30(37-4)28(19-23)36-3/h6-8,11-12,14-15,17-19,24,29H,5,9-10,13,16,20H2,1-4H3,(H,33,34)