[(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C23H27N3O5/c1-14(2)25-23(30)24-13-17-5-7-19(8-6-17)22(29)31-15(3)21(28)18-9-11-20(12-10-18)26-16(4)27/h5-12,14-15H,13H2,1-4H3,(H,26,27)(H2,24,25,30)/t15-/m1/s1