ethyl 7,8-bis(chloranyl)-4-[2-hydroxyethyl-(phenylmethyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-[2-hydroxyethyl-(phenylmethyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 4-[benzyl(2-hydroxyethyl)amino]-7,8-dichloro-quinoline-3-carboxylate CAS Name: 7,8-dichloro-4-[2-hydroxyethyl-(phenylmethyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[benzyl(2-hydroxyethyl)amino]-7,8-dichloroquinoline-3-carboxylate Traditional Name: 4-[benzyl(2-hydroxyethyl)amino]-7,8-dichloro-quinoline-3-carboxylic acid ethyl ester Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N(CCO)CC3=CC=CC=C3)C=CC(=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N(CCO)CC3=CC=CC=C3)C=CC(=C2Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O3/c1-2-28-21(27)16-12-24-19-15(8-9-17(22)18(19)23)20(16)25(10-11-26)13-14-6-4-3-5-7-14/h3-9,12,26H,2,10-11,13H2,1H3