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

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-methylbenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)CN4CCCC4)C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)CN4CCCC4)C=CC=N3

InChI

InChI=1S/C22H22N2O2/c1-16-6-8-17(9-7-16)22(25)26-20-11-10-18(15-24-13-2-3-14-24)19-5-4-12-23-21(19)20/h4-12H,2-3,13-15H2,1H3