methyl 3-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-(2-benzyloxy-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-(2-benzoxy-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-31-25(30)20-8-9-22-21(15-26-23(22)14-20)16-27-10-5-11-28(13-12-27)17-24(29)32-18-19-6-3-2-4-7-19/h2-4,6-9,14-15,26H,5,10-13,16-18H2,1H3