2-(3-chlorophenyl)-3-(ethylamino)-3-methyl-2-oxidanyl-4H-chromene-6-carboxylic acid

Systemtic Name: 2-(3-chlorophenyl)-3-(ethylamino)-3-methyl-2-oxidanyl-4H-chromene-6-carboxylic acid Openeye Name: 2-(3-chlorophenyl)-3-(ethylamino)-2-hydroxy-3-methyl-chromane-6-carboxylic acid CAS Name: 2-(3-chlorophenyl)-3-(ethylamino)-2-hydroxy-3-methyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 2-(3-chlorophenyl)-3-(ethylamino)-2-hydroxy-3-methyl-4H-chromene-6-carboxylic acid Traditional Name: 2-(3-chlorophenyl)-3-(ethylamino)-2-hydroxy-3-methyl-chroman-6-carboxylic acid Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(CC2=C(C=CC(=C2)C(=O)O)OC1(C3=CC(=CC=C3)Cl)O)C

Isomeric SMILES

CCNC1(CC2=C(C=CC(=C2)C(=O)O)OC1(C3=CC(=CC=C3)Cl)O)C

InChI

InChI=1S/C19H20ClNO4/c1-3-21-18(2)11-13-9-12(17(22)23)7-8-16(13)25-19(18,24)14-5-4-6-15(20)10-14/h4-10,21,24H,3,11H2,1-2H3,(H,22,23)