1-[(5-chloranyl-2-methoxy-phenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-isoquinolyl)methyl]proline Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C22H21ClN2O3/c1-28-20-7-6-17(23)12-18(20)21(25-10-2-3-19(25)22(26)27)15-4-5-16-13-24-9-8-14(16)11-15/h4-9,11-13,19,21H,2-3,10H2,1H3,(H,26,27)