tert-butyl 2-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)carbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)carbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl 2-(hydroxymethyl)-4-(3,4,5-trimethoxybenzoyl)piperazine-1-carboxylate CAS Name: 2-(hydroxymethyl)-4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hydroxymethyl)-4-(3,4,5-trimethoxybenzoyl)piperazine-1-carboxylate Traditional Name: 2-methylol-4-(3,4,5-trimethoxybenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H30N2O7/c1-20(2,3)29-19(25)22-8-7-21(11-14(22)12-23)18(24)13-9-15(26-4)17(28-6)16(10-13)27-5/h9-10,14,23H,7-8,11-12H2,1-6H3