ethyl 4-[cyano-(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[cyano-(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[cyano-(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[cyano-(2,3,4-trimethoxyphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[cyano-(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[cyano-(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C18H26ClN3O5 MolecularWeight: 399.86914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#N)C2=C(C(=C(C=C2)OC)OC)OC.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#N)C2=C(C(=C(C=C2)OC)OC)OC.Cl

InChI

InChI=1S/C18H25N3O5.ClH/c1-5-26-18(22)21-10-8-20(9-11-21)14(12-19)13-6-7-15(23-2)17(25-4)16(13)24-3;/h6-7,14H,5,8-11H2,1-4H3;1H