2-(5-chloranyl-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid; 2-(4-propylpiperazin-1-yl)pyrimidine

Systemtic Name: 2-(5-chloranyl-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid; 2-(4-propylpiperazin-1-yl)pyrimidine Openeye Name: 2-(5-chloro-2-phenethyloxy-phenoxy)-2-oxo-acetic acid; 2-(4-propylpiperazin-1-yl)pyrimidine CAS Name: 2-(5-chloro-2-phenethyloxyphenoxy)-2-oxoacetic acid; 2-(4-propyl-1-piperazinyl)pyrimidine IUPAC Name: 2-(5-chloro-2-phenethyloxyphenoxy)-2-oxoacetic acid; 2-(4-propylpiperazin-1-yl)pyrimidine Traditional Name: 2-(5-chloro-2-phenethyloxy-phenoxy)-2-keto-acetic acid; 2-(4-propylpiperazino)pyrimidine Formula: C27H31ClN4O5 MolecularWeight: 527.01184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC=CC=N2.C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)OC(=O)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=NC=CC=N2.C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)OC(=O)C(=O)O

InChI

InChI=1S/C16H13ClO5.C11H18N4/c17-12-6-7-13(14(10-12)22-16(20)15(18)19)21-9-8-11-4-2-1-3-5-11;1-2-6-14-7-9-15(10-8-14)11-12-4-3-5-13-11/h1-7,10H,8-9H2,(H,18,19);3-5H,2,6-10H2,1H3