[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H29N3O6/c1-15(21(28)22-14-17-4-6-18(29-3)7-5-17)30-20(27)9-8-19(26)24-12-10-23(11-13-24)16(2)25/h4-7,15H,8-14H2,1-3H3,(H,22,28)/t15-/m0/s1