[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O4/c1-16(28-21(26)15-19-18-9-5-6-10-20(18)29-23-19)22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/t16-/m0/s1