ethyl 6-(dimethylamino)-4-oxidanylidene-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-4-oxidanylidene-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-benzyl-1-piperidyl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-4-oxo-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperidin-1-yl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-benzylpiperidino)methyl]-6-(dimethylamino)-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-4-33-27(32)25-23(26(31)22-17-21(29(2)3)10-11-24(22)28-25)18-30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17,20H,4,12-16,18H2,1-3H3,(H,28,31)