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

Systemtic Name: [(4-hexadecylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride Openeye Name: [(4-hexadecylpiperazin-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-hexadecyl-1-piperazinyl)-phenylmethyl] ester dihydrochloride IUPAC Name: [(4-hexadecylpiperazin-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 [(4-cetylpiperazino)-phenyl-methyl] ester dihydrochloride Formula: C39H62Cl2N2O4 MolecularWeight: 693.82658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)C(C2=CC=CC=C2)OC(=O)C3(CC3OC)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(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/C39H60N2O4.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-40-28-30-41(31-29-40)37(33-21-18-17-19-22-33)45-38(42)39(32-36(39)44-3)34-23-25-35(43-2)26-24-34;;/h17-19,21-26,36-37H,4-16,20,27-32H2,1-3H3;2*1H/t36-,37?,39-;;/m0../s1