dimethyl (2S)-2-[4-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]piperazin-1-yl]butanedioate

Systemtic Name: dimethyl (2S)-2-[4-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]piperazin-1-yl]butanedioate Openeye Name: dimethyl (2S)-2-[4-[(1S)-1-(1H-imidazol-5-ylmethyl)-2-methoxy-2-oxo-ethyl]piperazin-1-yl]butanedioate CAS Name: (2S)-2-[4-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]-1-piperazinyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[4-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]piperazin-1-yl]butanedioate Traditional Name: (2S)-2-[4-[(1S)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-methoxy-ethyl]piperazino]succinic acid dimethyl ester Formula: C17H26N4O6 MolecularWeight: 382.41154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)N1CCN(CC1)C(CC2=CN=CN2)C(=O)OC

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)N1CCN(CC1)[C@@H](CC2=CN=CN2)C(=O)OC

InChI

InChI=1S/C17H26N4O6/c1-25-15(22)9-14(17(24)27-3)21-6-4-20(5-7-21)13(16(23)26-2)8-12-10-18-11-19-12/h10-11,13-14H,4-9H2,1-3H3,(H,18,19)/t13-,14-/m0/s1