3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-(6-methoxy-2-naphthyl)propanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)propanoic acid 3-[4-(3-nitrooxypropyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: 2-(6-methoxy-2-naphthyl)propionic acid 3-[4-(3-nitrooxypropyl)piperazino]propyl ester Formula: C24H33N3O6 MolecularWeight: 459.53532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCN3CCN(CC3)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCN3CCN(CC3)CCCO[N+](=O)[O-]

InChI

InChI=1S/C24H33N3O6/c1-19(20-5-6-22-18-23(31-2)8-7-21(22)17-20)24(28)32-15-3-9-25-11-13-26(14-12-25)10-4-16-33-27(29)30/h5-8,17-19H,3-4,9-16H2,1-2H3