ethyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-(2-furylmethyl)-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(2-furfuryl)-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C20H25N3O4/c1-2-26-19(24)17-8-3-4-9-18(17)21-20(25)23-11-6-10-22(12-13-23)15-16-7-5-14-27-16/h3-5,7-9,14H,2,6,10-13,15H2,1H3,(H,21,25)