ethyl 6-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(4-veratroylpiperazino)nicotinic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O5/c1-4-29-21(26)16-6-8-19(22-14-16)23-9-11-24(12-10-23)20(25)15-5-7-17(27-2)18(13-15)28-3/h5-8,13-14H,4,9-12H2,1-3H3