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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-quinolyl)methyl]proline Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4/c1-2-35-28-18-23(14-15-27(28)36-20-21-9-4-3-5-10-21)29(32-16-8-13-26(32)30(33)34)24-17-22-11-6-7-12-25(22)31-19-24/h3-7,9-12,14-15,17-19,26,29H,2,8,13,16,20H2,1H3,(H,33,34)