[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3H-benzimidazol-1-yl)azepane-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3H-benzimidazol-1-yl)azepane-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-azepanecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)azepane-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C31H36N4O3 MolecularWeight: 512.64254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCCC(CC1)N2C3=CC=CC=C3NC2=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H](COC(=O)N1CCCC(CC1)N2C3=CC=CC=C3NC2=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O3/c1-24(34(21-25-11-4-2-5-12-25)22-26-13-6-3-7-14-26)23-38-31(37)33-19-10-15-27(18-20-33)35-29-17-9-8-16-28(29)32-30(35)36/h2-9,11-14,16-17,24,27H,10,15,18-23H2,1H3,(H,32,36)/t24-,27?/m0/s1