4-[2-[[[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 4-[2-[[[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-(4-acetylphenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-(4-acetylphenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-(4-acetylphenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-(4-acetylphenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C28H29NO6/c1-18(30)19-6-10-25(11-7-19)34-17-24(31)15-29-16-26-12-8-23-14-22(9-13-27(23)35-26)20-2-4-21(5-3-20)28(32)33/h2-7,9-11,13-14,24,26,29,31H,8,12,15-17H2,1H3,(H,32,33)