[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3-methoxybenzoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3-methoxybenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=C3C(=C(C=C2)CN4CCCC4)C=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=C3C(=C(C=C2)CN4CCCC4)C=CC=N3

InChI

InChI=1S/C22H22N2O3/c1-26-18-7-4-6-16(14-18)22(25)27-20-10-9-17(15-24-12-2-3-13-24)19-8-5-11-23-21(19)20/h4-11,14H,2-3,12-13,15H2,1H3