ethyl 6-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[3-(2,3-dimethylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazino]nicotinic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCOC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCOC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H29N3O4/c1-4-29-23(28)19-8-9-21(24-16-19)25-11-13-26(14-12-25)22(27)10-15-30-20-7-5-6-17(2)18(20)3/h5-9,16H,4,10-15H2,1-3H3