[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(aminocarbonylamino)benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(aminocarbonylamino)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)N

InChI

InChI=1S/C17H23N3O4/c1-12(15(21)20-10-4-2-3-5-11-20)24-16(22)13-6-8-14(9-7-13)19-17(18)23/h6-9,12H,2-5,10-11H2,1H3,(H3,18,19,23)