2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-(3-phenoxypropyl)amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-ethanamide

Systemtic Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-(3-phenoxypropyl)amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-ethanamide Openeye Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidyl]-(3-phenoxypropyl)amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide CAS Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidinyl]-(3-phenoxypropyl)amino]heptyl]-3-pyrrolidinyl]-2,2-diphenylacetamide IUPAC Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-(3-phenoxypropyl)amino]heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide Traditional Name: 2-[(3S)-1-[7-[[1-(2,6-dimethoxybenzyl)-4-piperidyl]-(3-phenoxypropyl)amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide Formula: C48H64N4O4 MolecularWeight: 761.04616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)CN2CCC(CC2)N(CCCCCCCN3CCC(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N)CCCOC6=CC=CC=C6

Isomeric SMILES

COC1=C(C(=CC=C1)OC)CN2CCC(CC2)N(CCCCCCCN3CC[C@H](C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N)CCCOC6=CC=CC=C6

InChI

InChI=1S/C48H64N4O4/c1-54-45-25-17-26-46(55-2)44(45)38-51-34-28-42(29-35-51)52(32-18-36-56-43-23-13-8-14-24-43)31-16-5-3-4-15-30-50-33-27-41(37-50)48(47(49)53,39-19-9-6-10-20-39)40-21-11-7-12-22-40/h6-14,17,19-26,41-42H,3-5,15-16,18,27-38H2,1-2H3,(H2,49,53)/t41-/m1/s1