[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-tert-butylbenzoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-tert-butylbenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)CN4CCCC4)C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)CN4CCCC4)C=CC=N3

InChI

InChI=1S/C25H28N2O2/c1-25(2,3)20-11-8-18(9-12-20)24(28)29-22-13-10-19(17-27-15-4-5-16-27)21-7-6-14-26-23(21)22/h6-14H,4-5,15-17H2,1-3H3