2-[3-chloranyl-4-[(4-methoxy-3-methyl-phenyl)methoxy]phenyl]ethanoic acid; 1-methylpiperazine

Systemtic Name: 2-[3-chloranyl-4-[(4-methoxy-3-methyl-phenyl)methoxy]phenyl]ethanoic acid; 1-methylpiperazine Openeye Name: 2-[3-chloro-4-[(4-methoxy-3-methyl-phenyl)methoxy]phenyl]acetic acid; 1-methylpiperazine CAS Name: 2-[3-chloro-4-[(4-methoxy-3-methylphenyl)methoxy]phenyl]acetic acid; 1-methylpiperazine IUPAC Name: 2-[3-chloro-4-[(4-methoxy-3-methylphenyl)methoxy]phenyl]acetic acid; 1-methylpiperazine Traditional Name: 2-[3-chloro-4-(4-methoxy-3-methyl-benzyl)oxy-phenyl]acetic acid; 1-methylpiperazine Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl)OC.CN1CCNCC1

Isomeric SMILES

CC1=C(C=CC(=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl)OC.CN1CCNCC1

InChI

InChI=1S/C17H17ClO4.C5H12N2/c1-11-7-13(4-5-15(11)21-2)10-22-16-6-3-12(8-14(16)18)9-17(19)20;1-7-4-2-6-3-5-7/h3-8H,9-10H2,1-2H3,(H,19,20);6H,2-5H2,1H3