[3-methyl-4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]naphthalen-1-yl] benzoate

Systemtic Name: [3-methyl-4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]naphthalen-1-yl] benzoate Openeye Name: [4-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]-3-methyl-1-naphthyl] benzoate CAS Name: benzoic acid [4-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]-3-methyl-1-naphthalenyl] ester IUPAC Name: [4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3-methylnaphthalen-1-yl] benzoate Traditional Name: benzoic acid [4-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]-3-methyl-1-naphthyl] ester Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C3=CC=CC=C3)OCC(CN4CCN(CC4)C5=CC=CC=N5)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C3=CC=CC=C3)OCC(CN4CCN(CC4)C5=CC=CC=N5)O

InChI

InChI=1S/C30H31N3O4/c1-22-19-27(37-30(35)23-9-3-2-4-10-23)25-11-5-6-12-26(25)29(22)36-21-24(34)20-32-15-17-33(18-16-32)28-13-7-8-14-31-28/h2-14,19,24,34H,15-18,20-21H2,1H3