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

Systemtic Name: ethyl 2-[[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: ethyl 2-[[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]methyl]chromane-6-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-[[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]methyl]chroman-6-carboxylic acid ethyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(CC2)CNCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(CC2)CNCC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C21H24ClNO4/c1-2-26-21(25)16-7-9-20-15(10-16)6-8-18(27-20)12-23-13-19(24)14-4-3-5-17(22)11-14/h3-5,7,9-11,18-19,23-24H,2,6,8,12-13H2,1H3