4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-iodanyl-5-methoxy-benzaldehyde

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-iodanyl-5-methoxy-benzaldehyde Openeye Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-iodo-5-methoxy-benzaldehyde CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-iodo-5-methoxybenzaldehyde IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-iodo-5-methoxybenzaldehyde Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-iodo-5-methoxy-benzaldehyde Formula: C21H22ClIN2O4 MolecularWeight: 528.76785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)I)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)I)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClIN2O4/c1-28-19-11-16(13-26)10-18(23)21(19)29-14-20(27)25-8-6-24(7-9-25)12-15-2-4-17(22)5-3-15/h2-5,10-11,13H,6-9,12,14H2,1H3