ethyl 5-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]methyl]furan-2-carboxylic acid ethyl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN2O3/c1-2-30-25(29)23-13-12-22(31-23)18-27-14-16-28(17-15-27)24(19-6-4-3-5-7-19)20-8-10-21(26)11-9-20/h3-13,24H,2,14-18H2,1H3