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

Systemtic Name: [3-methyl-4-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]naphthalen-1-yl] benzoate hydrochloride Openeye Name: [4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3-methyl-1-naphthyl] benzoate hydrochloride CAS Name: benzoic acid [4-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]-3-methyl-1-naphthalenyl] ester hydrochloride IUPAC Name: [4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3-methylnaphthalen-1-yl] benzoate hydrochloride Traditional Name: benzoic acid [4-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propoxy]-3-methyl-1-naphthyl] ester hydrochloride Formula: C29H31ClN4O4 MolecularWeight: 535.03384

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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=NC=CC=N5)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4.ClH/c1-21-18-26(37-28(35)22-8-3-2-4-9-22)24-10-5-6-11-25(24)27(21)36-20-23(34)19-32-14-16-33(17-15-32)29-30-12-7-13-31-29;/h2-13,18,23,34H,14-17,19-20H2,1H3;1H