2-[[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)OC1CNCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)OC1CNCC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C19H20ClNO4/c20-15-3-1-2-12(9-15)17(22)11-21-10-16-6-4-13-8-14(19(23)24)5-7-18(13)25-16/h1-3,5,7-9,16-17,21-22H,4,6,10-11H2,(H,23,24)