3,5-ditert-butyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 3,5-ditert-butyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3,5-ditert-butyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzaldehyde CAS Name: 3,5-ditert-butyl-4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3,5-ditert-butyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 3,5-ditert-butyl-4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]benzaldehyde Formula: C28H37ClN2O3 MolecularWeight: 485.05798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C)C=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C)C=O

InChI

InChI=1S/C28H37ClN2O3/c1-27(2,3)23-15-21(18-32)16-24(28(4,5)6)26(23)34-19-25(33)31-13-11-30(12-14-31)17-20-7-9-22(29)10-8-20/h7-10,15-16,18H,11-14,17,19H2,1-6H3