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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C29H33NO6/c1-19(2)35-28-15-21(9-12-26(28)29(32)33)20-10-13-27-22(14-20)8-11-25(36-27)17-30-16-23(31)18-34-24-6-4-3-5-7-24/h3-7,9-10,12-15,19,23,25,30-31H,8,11,16-18H2,1-2H3,(H,32,33)