1-[7-[(4-cyanophenyl)methoxy]-2-methyl-quinolin-4-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[7-[(4-cyanophenyl)methoxy]-2-methyl-quinolin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[7-[(4-cyanophenyl)methoxy]-2-methyl-4-quinolyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[7-[(4-cyanophenyl)methoxy]-2-methyl-4-quinolinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[7-[(4-cyanophenyl)methoxy]-2-methylquinolin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[7-(4-cyanobenzyl)oxy-2-methyl-4-quinolyl]proline Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCCC4C(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCCC4C(=O)O

InChI

InChI=1S/C23H21N3O3/c1-15-11-22(26-10-2-3-21(26)23(27)28)19-9-8-18(12-20(19)25-15)29-14-17-6-4-16(13-24)5-7-17/h4-9,11-12,21H,2-3,10,14H2,1H3,(H,27,28)