[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC=C2)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC=C2)NC(=O)N

InChI

InChI=1S/C18H25N3O4/c1-12(16(22)20-14-8-4-2-3-5-9-14)25-17(23)13-7-6-10-15(11-13)21-18(19)24/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,20,22)(H3,19,21,24)/t12-/m1/s1