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

Systemtic Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-phenacyl-amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-ethanamide Openeye Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidyl]-phenacyl-amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide CAS Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidinyl]-phenacylamino]heptyl]-3-pyrrolidinyl]-2,2-diphenylacetamide IUPAC Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-phenacylamino]heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide Traditional Name: 2-[(3S)-1-[7-[[1-(2,6-dimethoxybenzyl)-4-piperidyl]-phenacyl-amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide Formula: C47H60N4O4 MolecularWeight: 745.0037

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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)CC(=O)C6=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)CC(=O)C6=CC=CC=C6

InChI

InChI=1S/C47H60N4O4/c1-54-44-24-17-25-45(55-2)42(44)35-50-32-27-41(28-33-50)51(36-43(52)37-18-9-6-10-19-37)30-16-5-3-4-15-29-49-31-26-40(34-49)47(46(48)53,38-20-11-7-12-21-38)39-22-13-8-14-23-39/h6-14,17-25,40-41H,3-5,15-16,26-36H2,1-2H3,(H2,48,53)/t40-/m1/s1