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

Systemtic Name: 2-[[[2-(3-methoxyphenyl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Openeye Name: 2-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methyl]chromane-6-carboxylic acid CAS Name: 2-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Traditional Name: 2-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methyl]chroman-6-carboxylic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNCC2CCC3=C(O2)C=CC(=C3)C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(CNCC2CCC3=C(O2)C=CC(=C3)C(=O)O)O

InChI

InChI=1S/C20H23NO5/c1-25-16-4-2-3-13(10-16)18(22)12-21-11-17-7-5-14-9-15(20(23)24)6-8-19(14)26-17/h2-4,6,8-10,17-18,21-22H,5,7,11-12H2,1H3,(H,23,24)