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

Systemtic Name: 4-[2-[[[3-(2-ethoxy-4-methyl-phenoxy)-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-(2-ethoxy-4-methyl-phenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-(2-ethoxy-4-methylphenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-(2-ethoxy-4-methylphenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-(2-ethoxy-4-methyl-phenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C29H33NO6/c1-3-34-28-14-19(2)4-12-27(28)35-18-24(31)16-30-17-25-11-9-23-15-22(10-13-26(23)36-25)20-5-7-21(8-6-20)29(32)33/h4-8,10,12-15,24-25,30-31H,3,9,11,16-18H2,1-2H3,(H,32,33)