[4-[(2S)-2-azanyl-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [4-[(2S)-2-azanyl-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [4-[(2S)-2-amino-3-isopropoxy-3-oxo-propyl]phenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [4-[(2S)-2-amino-3-oxo-3-propan-2-yloxypropyl]phenyl] ester IUPAC Name: [4-[(2S)-2-amino-3-oxo-3-propan-2-yloxypropyl]phenyl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [4-[(2S)-2-amino-3-isopropoxy-3-keto-propyl]phenyl] ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C)N

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C)N

InChI

InChI=1S/C18H27N3O4/c1-13(2)24-17(22)16(19)12-14-4-6-15(7-5-14)25-18(23)21-10-8-20(3)9-11-21/h4-7,13,16H,8-12,19H2,1-3H3/t16-/m0/s1