1-naphthalen-1-yloxypropan-2-yl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-sulfanyl-butanoate

Systemtic Name: 1-naphthalen-1-yloxypropan-2-yl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-sulfanyl-butanoate Openeye Name: [1-methyl-2-(1-naphthyloxy)ethyl] 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-sulfanyl-butanoate CAS Name: 3-mercapto-2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-methylbutanoic acid 1-(1-naphthalenyloxy)propan-2-yl ester IUPAC Name: 1-naphthalen-1-yloxypropan-2-yl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-sulfanylbutanoate Traditional Name: 3-mercapto-2-[4-(2-methoxyphenyl)piperazino]-3-methyl-butyric acid [1-methyl-2-(1-naphthoxy)ethyl] ester Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C(C(C)(C)S)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C(C(C)(C)S)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H36N2O4S/c1-21(20-34-25-15-9-11-22-10-5-6-12-23(22)25)35-28(32)27(29(2,3)36)31-18-16-30(17-19-31)24-13-7-8-14-26(24)33-4/h5-15,21,27,36H,16-20H2,1-4H3