methyl 1,2,5-trimethyl-4-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate

Systemtic Name: methyl 1,2,5-trimethyl-4-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Openeye Name: methyl 4-[[4-(2-benzyloxy-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1,2,5-trimethyl-4-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Traditional Name: 4-[[4-(2-benzoxy-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4/c1-18-21(23(24(29)30-4)19(2)25(18)3)15-26-11-8-12-27(14-13-26)16-22(28)31-17-20-9-6-5-7-10-20/h5-7,9-10H,8,11-17H2,1-4H3