[3-(4-phenylpiperidin-1-yl)carbonyl-4-(pyridin-3-ylmethylamino)quinolin-8-yl]methyl benzoate

Systemtic Name: [3-(4-phenylpiperidin-1-yl)carbonyl-4-(pyridin-3-ylmethylamino)quinolin-8-yl]methyl benzoate Openeye Name: [3-(4-phenylpiperidine-1-carbonyl)-4-(3-pyridylmethylamino)-8-quinolyl]methyl benzoate CAS Name: benzoic acid [3-[oxo-(4-phenyl-1-piperidinyl)methyl]-4-(3-pyridinylmethylamino)-8-quinolinyl]methyl ester IUPAC Name: [3-(4-phenylpiperidine-1-carbonyl)-4-(pyridin-3-ylmethylamino)quinolin-8-yl]methyl benzoate Traditional Name: benzoic acid [3-(4-phenylpiperidine-1-carbonyl)-4-(3-pyridylmethylamino)-8-quinolyl]methyl ester Formula: C35H32N4O3 MolecularWeight: 556.65358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CN=C4C(=C3NCC5=CN=CC=C5)C=CC=C4COC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CN=C4C(=C3NCC5=CN=CC=C5)C=CC=C4COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H32N4O3/c40-34(39-19-16-27(17-20-39)26-10-3-1-4-11-26)31-23-38-32-29(24-42-35(41)28-12-5-2-6-13-28)14-7-15-30(32)33(31)37-22-25-9-8-18-36-21-25/h1-15,18,21,23,27H,16-17,19-20,22,24H2,(H,37,38)