tert-butyl 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]propanoate Openeye Name: tert-butyl 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-cyanophenyl)-1-piperazinyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-cyanophenyl)piperazino]phenyl]propionic acid tert-butyl ester Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O2/c1-24(2,3)29-23(28)13-8-19-4-9-21(10-5-19)26-14-16-27(17-15-26)22-11-6-20(18-25)7-12-22/h4-7,9-12H,8,13-17H2,1-3H3