6-chloranyl-2-(2-hydroxyethylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-(2-hydroxyethylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-(2-hydroxyethylamino)-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-(2-hydroxyethylamino)-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-(2-hydroxyethylamino)-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-2-(2-hydroxyethylamino)-1-keto-4-(p-tolyl)isoquinoline-3-carboxylic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NCCO)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NCCO)C(=O)O

InChI

InChI=1S/C19H17ClN2O4/c1-11-2-4-12(5-3-11)16-15-10-13(20)6-7-14(15)18(24)22(21-8-9-23)17(16)19(25)26/h2-7,10,21,23H,8-9H2,1H3,(H,25,26)