ethanoic acid; 4-[3-(methylamino)-1-(4-pyridin-4-ylphenyl)propyl]phenol

Systemtic Name: ethanoic acid; 4-[3-(methylamino)-1-(4-pyridin-4-ylphenyl)propyl]phenol Openeye Name: acetic acid; 4-[3-(methylamino)-1-[4-(4-pyridyl)phenyl]propyl]phenol CAS Name: acetic acid; 4-[3-(methylamino)-1-(4-pyridin-4-ylphenyl)propyl]phenol IUPAC Name: acetic acid; 4-[3-(methylamino)-1-(4-pyridin-4-ylphenyl)propyl]phenol Traditional Name: acetic acid; 4-[3-(methylamino)-1-[4-(4-pyridyl)phenyl]propyl]phenol Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CNCCC(C1=CC=C(C=C1)C2=CC=NC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)O.CC(=O)O.CNCCC(C1=CC=C(C=C1)C2=CC=NC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H22N2O.2C2H4O2/c1-22-13-12-21(19-6-8-20(24)9-7-19)18-4-2-16(3-5-18)17-10-14-23-15-11-17;2*1-2(3)4/h2-11,14-15,21-22,24H,12-13H2,1H3;2*1H3,(H,3,4)