methyl 5-[[4-(4-cyclohex-2-en-1-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-cyclohex-2-en-1-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-cyclohex-2-en-1-yloxybenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[4-(1-cyclohex-2-enyloxy)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-cyclohex-2-en-1-yloxybenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-cyclohex-2-en-1-yloxybenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)OC4CCCC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)OC4CCCC=C4

InChI

InChI=1S/C25H30N2O5/c1-30-25(29)23-13-12-22(32-23)18-26-14-5-15-27(17-16-26)24(28)19-8-10-21(11-9-19)31-20-6-3-2-4-7-20/h3,6,8-13,20H,2,4-5,7,14-18H2,1H3