(1-tert-butyl-4-isoquinolin-1-yl-piperidin-4-yl) benzoate

Systemtic Name: (1-tert-butyl-4-isoquinolin-1-yl-piperidin-4-yl) benzoate Openeye Name: [1-tert-butyl-4-(1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [1-tert-butyl-4-(1-isoquinolinyl)-4-piperidinyl] ester IUPAC Name: (1-tert-butyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate Traditional Name: benzoic acid [1-tert-butyl-4-(1-isoquinolyl)-4-piperidyl] ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2/c1-24(2,3)27-17-14-25(15-18-27,29-23(28)20-10-5-4-6-11-20)22-21-12-8-7-9-19(21)13-16-26-22/h4-13,16H,14-15,17-18H2,1-3H3