ethanedioic acid; 5-[4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]thiophene-2-carbaldehyde

Systemtic Name: ethanedioic acid; 5-[4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]thiophene-2-carbaldehyde Openeye Name: 5-[4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-1-yl]thiophene-2-carbaldehyde; oxalic acid CAS Name: 5-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-piperazinyl]-2-thiophenecarboxaldehyde; oxalic acid IUPAC Name: 5-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]thiophene-2-carbaldehyde; oxalic acid Traditional Name: 5-[4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazino]thiophene-2-carbaldehyde; oxalic acid Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(S3)C=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(S3)C=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O3S.C2H2O4/c1-16(2)19-5-3-4-6-20(19)26-15-17(25)13-22-9-11-23(12-10-22)21-8-7-18(14-24)27-21;3-1(4)2(5)6/h3-8,14,16-17,25H,9-13,15H2,1-2H3;(H,3,4)(H,5,6)