2-[3-[4-[(2-phenylpyridin-3-yl)methyl]piperazin-1-yl]propoxy]naphthalene-1-carboxylic acid

Systemtic Name: 2-[3-[4-[(2-phenylpyridin-3-yl)methyl]piperazin-1-yl]propoxy]naphthalene-1-carboxylic acid Openeye Name: 2-[3-[4-[(2-phenyl-3-pyridyl)methyl]piperazin-1-yl]propoxy]naphthalene-1-carboxylic acid CAS Name: 2-[3-[4-[(2-phenyl-3-pyridinyl)methyl]-1-piperazinyl]propoxy]-1-naphthalenecarboxylic acid IUPAC Name: 2-[3-[4-[(2-phenylpyridin-3-yl)methyl]piperazin-1-yl]propoxy]naphthalene-1-carboxylic acid Traditional Name: 2-[3-[4-[(2-phenyl-3-pyridyl)methyl]piperazino]propoxy]-1-naphthoic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=C(C3=CC=CC=C3C=C2)C(=O)O)CC4=C(N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCOC2=C(C3=CC=CC=C3C=C2)C(=O)O)CC4=C(N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c34-30(35)28-26-12-5-4-8-23(26)13-14-27(28)36-21-7-16-32-17-19-33(20-18-32)22-25-11-6-15-31-29(25)24-9-2-1-3-10-24/h1-6,8-15H,7,16-22H2,(H,34,35)