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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]proline Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O4/c1-4-34-27-19-23(14-17-26(27)35-20-21-9-6-5-7-10-21)28(31-18-8-11-25(31)29(32)33)22-12-15-24(16-13-22)30(2)3/h5-7,9-10,12-17,19,25,28H,4,8,11,18,20H2,1-3H3,(H,32,33)