ethyl 6-[4-(2-ethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(2-ethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(2-ethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(2-ethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(2-ethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(2-ethoxybenzoyl)piperazino]nicotinic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H25N3O4/c1-3-27-18-8-6-5-7-17(18)20(25)24-13-11-23(12-14-24)19-10-9-16(15-22-19)21(26)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3