methyl 4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-[[4-(2-furylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[[4-(2-furfuryl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C20H29N3O3/c1-15-18(19(20(24)25-4)16(2)21(15)3)14-23-9-6-8-22(10-11-23)13-17-7-5-12-26-17/h5,7,12H,6,8-11,13-14H2,1-4H3