ethanedioate; ethyl 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate

Systemtic Name: ethanedioate; ethyl 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate; oxalate CAS Name: 2,6-dimethyl-4-(4-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid ethyl ester; oxalate IUPAC Name: ethyl 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate; oxalate Traditional Name: 2,6-dimethyl-4-(4-phenylpiperazino)nicotinic acid ethyl ester; oxalate Formula: C22H25N3O6-2 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1N2CCN(CC2)C3=CC=CC=C3)C)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1N2CCN(CC2)C3=CC=CC=C3)C)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C20H25N3O2.C2H2O4/c1-4-25-20(24)19-16(3)21-15(2)14-18(19)23-12-10-22(11-13-23)17-8-6-5-7-9-17;3-1(4)2(5)6/h5-9,14H,4,10-13H2,1-3H3;(H,3,4)(H,5,6)/p-2