octan-3-yl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: octan-3-yl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: 1-ethylhexyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzoic acid octan-3-yl ester IUPAC Name: octan-3-yl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]benzoic acid 1-ethylhexyl ester Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H37ClN2O4/c1-3-5-6-7-25(4-2)35-28(33)23-10-14-26(15-11-23)34-21-27(32)31-18-16-30(17-19-31)20-22-8-12-24(29)13-9-22/h8-15,25H,3-7,16-21H2,1-2H3