(phenylmethyl) (2S)-2-[(2-methylquinolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylquinolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(2-methyl-6-quinolyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2-methyl-6-quinolinyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-methylquinolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2-methyl-6-quinolyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-16-9-10-18-14-19(11-12-20(18)24-16)25-22(27)21-8-5-13-26(21)23(28)29-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21H,5,8,13,15H2,1H3,(H,25,27)/t21-/m0/s1