1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-naphthyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl(2-naphthalenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(2-naphthyl)methyl]proline Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C25H22N2O2/c28-25(29)23-6-3-13-27(23)24(20-8-7-17-4-1-2-5-18(17)14-20)21-9-10-22-16-26-12-11-19(22)15-21/h1-2,4-5,7-12,14-16,23-24H,3,6,13H2,(H,28,29)