2-[1-[2-[3-(3,4-dichlorophenyl)-1-[2-(3-propan-2-yloxyphenyl)ethanoyl]piperidin-3-yl]ethyl]-4-phenyl-piperidin-4-yl]ethyl ethanoate hydrate hydrochloride

Systemtic Name: 2-[1-[2-[3-(3,4-dichlorophenyl)-1-[2-(3-propan-2-yloxyphenyl)ethanoyl]piperidin-3-yl]ethyl]-4-phenyl-piperidin-4-yl]ethyl ethanoate hydrate hydrochloride Openeye Name: 2-[1-[2-[3-(3,4-dichlorophenyl)-1-[2-(3-isopropoxyphenyl)acetyl]-3-piperidyl]ethyl]-4-phenyl-4-piperidyl]ethyl acetate hydrate hydrochloride CAS Name: acetic acid 2-[1-[2-[3-(3,4-dichlorophenyl)-1-[1-oxo-2-(3-propan-2-yloxyphenyl)ethyl]-3-piperidinyl]ethyl]-4-phenyl-4-piperidinyl]ethyl ester hydrate hydrochloride IUPAC Name: 2-[1-[2-[3-(3,4-dichlorophenyl)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]ethyl]-4-phenylpiperidin-4-yl]ethyl acetate hydrate hydrochloride Traditional Name: acetic acid 2-[1-[2-[3-(3,4-dichlorophenyl)-1-[2-(3-isopropoxyphenyl)acetyl]-3-piperidyl]ethyl]-4-phenyl-4-piperidyl]ethyl ester hydrate hydrochloride Formula: C39H51Cl3N2O5 MolecularWeight: 734.19164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CCN3CCC(CC3)(CCOC(=O)C)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl.O.Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CCN3CCC(CC3)(CCOC(=O)C)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl.O.Cl

InChI

InChI=1S/C39H48Cl2N2O4.ClH.H2O/c1-29(2)47-34-12-7-9-31(25-34)26-37(45)43-20-8-15-39(28-43,33-13-14-35(40)36(41)27-33)18-23-42-21-16-38(17-22-42,19-24-46-30(3)44)32-10-5-4-6-11-32;;/h4-7,9-14,25,27,29H,8,15-24,26,28H2,1-3H3;1H;1H2