ethyl 4-[2-[5-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxy-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[5-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxy-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-[(1S)-2-ethoxy-1-methyl-2-oxo-ethoxy]-1-oxo-2-isoquinolyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-1-oxo-2-isoquinolinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-1-oxoisoquinolin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-[(1S)-2-ethoxy-2-keto-1-methyl-ethoxy]-1-keto-2-isoquinolyl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H29N3O7/c1-4-31-22(29)16(3)33-19-8-6-7-18-17(19)9-10-26(21(18)28)15-20(27)24-11-13-25(14-12-24)23(30)32-5-2/h6-10,16H,4-5,11-15H2,1-3H3/t16-/m0/s1