but-2-ynyl 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: but-2-ynyl 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Openeye Name: but-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 but-2-ynyl ester IUPAC Name: but-2-ynyl 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 but-2-ynyl ester Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O5/c1-4-5-17-37-30(34)32-20-24-12-13-25(21-32)33(24)16-6-7-27(23-10-8-22(19-31)9-11-23)38-26-14-15-28(35-2)29(18-26)36-3/h8-11,14-15,18,24-25,27H,6-7,12-13,16-17,20-21H2,1-3H3