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

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)methoxy]-3-methyl-phenyl]ethanoic acid; 1-methylpiperazine Openeye Name: 2-[4-[(3-chloro-4-methoxy-phenyl)methoxy]-3-methyl-phenyl]acetic acid; 1-methylpiperazine CAS Name: 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]-3-methylphenyl]acetic acid; 1-methylpiperazine IUPAC Name: 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]-3-methylphenyl]acetic acid; 1-methylpiperazine Traditional Name: 2-[4-(3-chloro-4-methoxy-benzyl)oxy-3-methyl-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)CC(=O)O)OCC2=CC(=C(C=C2)OC)Cl.CN1CCNCC1

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)O)OCC2=CC(=C(C=C2)OC)Cl.CN1CCNCC1

InChI

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