(phenylmethyl) (2S)-2-[(4-isocyanatocyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-isocyanatocyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(4-isocyanatocyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(4-isocyanatocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-isocyanatocyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-isocyanatocyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3CCC(CC3)N=C=O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3CCC(CC3)N=C=O

InChI

InChI=1S/C21H27N3O4/c25-15-23-18-10-8-16(9-11-18)13-22-20(26)19-7-4-12-24(19)21(27)28-14-17-5-2-1-3-6-17/h1-3,5-6,16,18-19H,4,7-14H2,(H,22,26)/t16?,18?,19-/m0/s1