methyl 4-[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[2-(2-isopentyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbonyl]benzoate CAS Name: 4-[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxopiperazine-1-carbonyl]benzoate Traditional Name: 4-[2-(2-isoamoxy-2-keto-ethyl)-3-keto-piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H26N2O6/c1-13(2)8-11-28-17(23)12-16-18(24)21-9-10-22(16)19(25)14-4-6-15(7-5-14)20(26)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,24)