ethyl 6-[4-[2-(2-chloranyl-4-phenyl-phenoxy)ethanoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-(2-chloranyl-4-phenyl-phenoxy)ethanoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-(2-chloro-4-phenyl-phenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-(2-chloro-4-phenylphenoxy)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(2-chloro-4-phenylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-(2-chloro-4-phenyl-phenoxy)acetyl]piperazino]nicotinic acid ethyl ester Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H26ClN3O4/c1-2-33-26(32)21-9-11-24(28-17-21)29-12-14-30(15-13-29)25(31)18-34-23-10-8-20(16-22(23)27)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3