[(4-octadecylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride

Systemtic Name: [(4-octadecylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride Openeye Name: [(4-octadecylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropanecarboxylate dihydrochloride CAS Name: (1S,2S)-2-methoxy-1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid [(4-octadecyl-1-piperazinyl)-phenylmethyl] ester dihydrochloride IUPAC Name: [(4-octadecylpiperazin-1-yl)-phenylmethyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride Traditional Name: (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropanecarboxylic acid [phenyl-(4-stearylpiperazino)methyl] ester dihydrochloride Formula: C41H66Cl2N2O4 MolecularWeight: 721.87974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(C2=CC=CC=C2)OC(=O)C3(CC3OC)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(C2=CC=CC=C2)OC(=O)[C@@]3(C[C@@H]3OC)C4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C41H64N2O4.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-42-30-32-43(33-31-42)39(35-23-20-19-21-24-35)47-40(44)41(34-38(41)46-3)36-25-27-37(45-2)28-26-36;;/h19-21,23-28,38-39H,4-18,22,29-34H2,1-3H3;2*1H/t38-,39?,41-;;/m0../s1