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

Systemtic Name: 2-[3-methyl-4-[[4-(2-methylpropoxy)phenyl]methoxy]phenyl]ethanoic acid; 1-methylpiperazine Openeye Name: 2-[4-[(4-isobutoxyphenyl)methoxy]-3-methyl-phenyl]acetic acid; 1-methylpiperazine CAS Name: 2-[3-methyl-4-[[4-(2-methylpropoxy)phenyl]methoxy]phenyl]acetic acid; 1-methylpiperazine IUPAC Name: 2-[3-methyl-4-[[4-(2-methylpropoxy)phenyl]methoxy]phenyl]acetic acid; 1-methylpiperazine Traditional Name: 2-[4-(4-isobutoxybenzyl)oxy-3-methyl-phenyl]acetic acid; 1-methylpiperazine Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4.C5H12N2/c1-14(2)12-23-18-7-4-16(5-8-18)13-24-19-9-6-17(10-15(19)3)11-20(21)22;1-7-4-2-6-3-5-7/h4-10,14H,11-13H2,1-3H3,(H,21,22);6H,2-5H2,1H3