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

Systemtic Name: 1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(1-naphthyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl(1-naphthalenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(1-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=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC5=CC=CC=C54)C(=O)O

InChI

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