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

Systemtic Name: methyl 4-[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbonyl]benzoate CAS Name: 4-[[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]benzoate Traditional Name: 4-[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C27H40N2O6 MolecularWeight: 488.6163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O6/c1-3-4-5-6-7-8-9-10-11-12-19-35-24(30)20-23-25(31)28-17-18-29(23)26(32)21-13-15-22(16-14-21)27(33)34-2/h13-16,23H,3-12,17-20H2,1-2H3,(H,28,31)