ethane; 1-[4-(phenylcarbamoyl)quinolin-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: ethane; 1-[4-(phenylcarbamoyl)quinolin-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: ethane; 1-[4-(phenylcarbamoyl)-2-quinolyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[anilino(oxo)methyl]-2-quinolinyl]-2-pyrrolidinecarboxylic acid; ethane IUPAC Name: ethane; 1-[4-(phenylcarbamoyl)quinolin-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: ethane; 1-[4-(phenylcarbamoyl)-2-quinolyl]proline Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1CC(N(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC.C1CC(N(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H19N3O3.C2H6/c25-20(22-14-7-2-1-3-8-14)16-13-19(23-17-10-5-4-9-15(16)17)24-12-6-11-18(24)21(26)27;1-2/h1-5,7-10,13,18H,6,11-12H2,(H,22,25)(H,26,27);1-2H3