ethyl (3R,4S)-4-(4-nitrophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (3R,4S)-4-(4-nitrophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-nitrophenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4/c1-2-26-20(23)19-14-21(12-15-6-4-3-5-7-15)13-18(19)16-8-10-17(11-9-16)22(24)25/h3-11,18-19H,2,12-14H2,1H3/t18-,19+/m1/s1