methyl 3-[[2-(azepan-3-yl)azetidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[2-(azepan-3-yl)azetidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-(azepan-3-yl)azetidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(3-azepanyl)-1-azetidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(azepan-3-yl)azetidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(azepan-3-yl)azetidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC2C3CCCCNC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC2C3CCCCNC3

InChI

InChI=1S/C18H25N3O3/c1-24-17(22)13-6-4-7-15(11-13)20-18(23)21-10-8-16(21)14-5-2-3-9-19-12-14/h4,6-7,11,14,16,19H,2-3,5,8-10,12H2,1H3,(H,20,23)