methyl 5-[[4-(2-methylcyclohexa-2,5-dien-1-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-methylcyclohexa-2,5-dien-1-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-methyl-1-cyclohexa-2,5-dienyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H26N2O4/c1-15-6-3-4-7-17(15)19(23)22-11-5-10-21(12-13-22)14-16-8-9-18(26-16)20(24)25-2/h4,6-9,17H,3,5,10-14H2,1-2H3