(2S)-1-[(2,6-diethylphenyl)carbamoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2,6-diethylphenyl)carbamoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2,6-diethylphenyl)carbamoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2,6-diethylanilino)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2,6-diethylphenyl)carbamoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2,6-diethylphenyl)carbamoyl]pyrrolidine-2-carboxylate Formula: C16H21N2O3- MolecularWeight: 289.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-3-11-7-5-8-12(4-2)14(11)17-16(21)18-10-6-9-13(18)15(19)20/h5,7-8,13H,3-4,6,9-10H2,1-2H3,(H,17,21)(H,19,20)/p-1/t13-/m0/s1