[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H30N2O5 MolecularWeight: 402.484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H30N2O5/c1-16-8-9-19(28-2)18(12-16)24-14-17(13-20(24)25)22(27)29-15-21(26)23-10-6-4-3-5-7-11-23/h8-9,12,17H,3-7,10-11,13-15H2,1-2H3/t17-/m0/s1