4-methylpent-1-yn-3-yl 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: 4-methylpent-1-yn-3-yl 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Openeye Name: 1-isopropylprop-2-ynyl 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid 4-methylpent-1-yn-3-yl ester IUPAC Name: 4-methylpent-1-yn-3-yl 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid 1-isopropylprop-2-ynyl ester Formula: C32H39N3O5 MolecularWeight: 545.66916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#C)OC(=O)N1CC2CCC(C1)N2CCCC(C3=CC=C(C=C3)C#N)OC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(C#C)OC(=O)N1CC2CCC(C1)N2CCCC(C3=CC=C(C=C3)C#N)OC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H39N3O5/c1-6-28(22(2)3)40-32(36)34-20-25-13-14-26(21-34)35(25)17-7-8-29(24-11-9-23(19-33)10-12-24)39-27-15-16-30(37-4)31(18-27)38-5/h1,9-12,15-16,18,22,25-26,28-29H,7-8,13-14,17,20-21H2,2-5H3