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

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

Systemtic Name:1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[(4-benzoxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4


Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4


InChI

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


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