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

Systemtic Name: 4-[2-[[[3-(2-acetamidophenoxy)-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-(2-acetamidophenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-(2-acetamidophenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-(2-acetamidophenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-(2-acetamidophenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C28H30N2O6/c1-18(31)30-25-4-2-3-5-27(25)35-17-23(32)15-29-16-24-12-10-22-14-21(11-13-26(22)36-24)19-6-8-20(9-7-19)28(33)34/h2-9,11,13-14,23-24,29,32H,10,12,15-17H2,1H3,(H,30,31)(H,33,34)