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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]pipecolinic acid Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O4/c1-4-35-28-20-24(15-18-27(28)36-21-22-10-6-5-7-11-22)29(23-13-16-25(17-14-23)31(2)3)32-19-9-8-12-26(32)30(33)34/h5-7,10-11,13-18,20,26,29H,4,8-9,12,19,21H2,1-3H3,(H,33,34)