[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[benzyl(methyl)carbamoyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[benzyl(methyl)carbamoyl]benzoate Traditional Name: 2-[benzyl(methyl)carbamoyl]benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-19(23(28)27-16-10-3-4-11-17-27)31-25(30)22-15-9-8-14-21(22)24(29)26(2)18-20-12-6-5-7-13-20/h5-9,12-15,19H,3-4,10-11,16-18H2,1-2H3/t19-/m1/s1