[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1S)-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(=CC=C2)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)NC(=O)N

InChI

InChI=1S/C17H23N3O4/c1-12(15(21)20-9-4-2-3-5-10-20)24-16(22)13-7-6-8-14(11-13)19-17(18)23/h6-8,11-12H,2-5,9-10H2,1H3,(H3,18,19,23)/t12-/m0/s1