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

Systemtic Name: 2-azanyl-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 2-amino-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 2-amino-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 2-amino-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 2-amino-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)N)OC1CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)N)OC1CNCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C26H28N2O5/c27-24-13-18(7-10-23(24)26(30)31)17-8-11-25-19(12-17)6-9-22(33-25)15-28-14-20(29)16-32-21-4-2-1-3-5-21/h1-5,7-8,10-13,20,22,28-29H,6,9,14-16,27H2,(H,30,31)