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

Systemtic Name: 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenyl-benzoic acid Openeye Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-2-phenyl-benzoic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-phenylbenzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenylbenzoic acid Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-2-phenyl-benzoic acid Formula: C32H31NO5 MolecularWeight: 509.59224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)C4=CC=CC=C4)OC1CNCC(COC5=CC=CC=C5)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)C4=CC=CC=C4)OC1CNCC(COC5=CC=CC=C5)O

InChI

InChI=1S/C32H31NO5/c34-26(21-37-27-9-5-2-6-10-27)19-33-20-28-14-11-25-17-23(13-16-31(25)38-28)24-12-15-29(32(35)36)30(18-24)22-7-3-1-4-8-22/h1-10,12-13,15-18,26,28,33-34H,11,14,19-21H2,(H,35,36)