[1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-yl] 4-(nitrooxymethyl)benzoate

Systemtic Name: [1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-yl] 4-(nitrooxymethyl)benzoate Openeye Name: [1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-(1-naphthyloxy)ethyl] 4-(nitrooxymethyl)benzoate CAS Name: 4-(nitrooxymethyl)benzoic acid [1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)propan-2-yl] ester IUPAC Name: [1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-yl] 4-(nitrooxymethyl)benzoate Traditional Name: 4-(nitrooxymethyl)benzoic acid [1-[[4-(2-methoxyphenyl)piperazino]methyl]-2-(1-naphthoxy)ethyl] ester Formula: C32H33N3O7 MolecularWeight: 571.62032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)CO[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)CO[N+](=O)[O-]

InChI

InChI=1S/C32H33N3O7/c1-39-31-11-5-4-10-29(31)34-19-17-33(18-20-34)21-27(23-40-30-12-6-8-25-7-2-3-9-28(25)30)42-32(36)26-15-13-24(14-16-26)22-41-35(37)38/h2-16,27H,17-23H2,1H3