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

Systemtic Name: 2-[4-[(3-chloranyl-4-propan-2-yloxy-phenyl)methoxy]phenyl]ethanoic acid; 1-methylpiperazine Openeye Name: 2-[4-[(3-chloro-4-isopropoxy-phenyl)methoxy]phenyl]acetic acid; 1-methylpiperazine CAS Name: 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid; 1-methylpiperazine IUPAC Name: 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid; 1-methylpiperazine Traditional Name: 2-[4-(3-chloro-4-isopropoxy-benzyl)oxyphenyl]acetic acid; 1-methylpiperazine Formula: C23H31ClN2O4 MolecularWeight: 434.95624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)COC2=CC=C(C=C2)CC(=O)O)Cl.CN1CCNCC1

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)COC2=CC=C(C=C2)CC(=O)O)Cl.CN1CCNCC1

InChI

InChI=1S/C18H19ClO4.C5H12N2/c1-12(2)23-17-8-5-14(9-16(17)19)11-22-15-6-3-13(4-7-15)10-18(20)21;1-7-4-2-6-3-5-7/h3-9,12H,10-11H2,1-2H3,(H,20,21);6H,2-5H2,1H3