[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-8-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-8-yl] 2,2-dimethylpropanoate Openeye Name: [5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-quinolyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-quinolinyl] ester IUPAC Name: [5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-8-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-8-quinolyl] ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C2C(=C(C=C1)CCN3CCN(CC3)C4=CC=CC=C4OC)C=CC=N2

Isomeric SMILES

CC(C)(C)C(=O)OC1=C2C(=C(C=C1)CCN3CCN(CC3)C4=CC=CC=C4OC)C=CC=N2

InChI

InChI=1S/C27H33N3O3/c1-27(2,3)26(31)33-24-12-11-20(21-8-7-14-28-25(21)24)13-15-29-16-18-30(19-17-29)22-9-5-6-10-23(22)32-4/h5-12,14H,13,15-19H2,1-4H3