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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

InChI

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