ethyl 2-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]propoxy]benzoate

Systemtic Name: ethyl 2-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]propoxy]benzoate Openeye Name: ethyl 2-[3-(4-benzhydryl-1,4-diazepan-1-yl)propoxy]benzoate CAS Name: 2-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-benzhydryl-1,4-diazepan-1-yl)propoxy]benzoate Traditional Name: 2-[3-(4-benzhydryl-1,4-diazepan-1-yl)propoxy]benzoic acid ethyl ester Formula: C30H36N2O3 MolecularWeight: 472.61844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OCCCN2CCCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OCCCN2CCCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H36N2O3/c1-2-34-30(33)27-17-9-10-18-28(27)35-24-12-20-31-19-11-21-32(23-22-31)29(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-10,13-18,29H,2,11-12,19-24H2,1H3