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

Systemtic Name: 4-[2-[[[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-(4-chlorophenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-(4-chlorophenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO5/c27-21-7-10-23(11-8-21)32-16-22(29)14-28-15-24-9-5-20-13-19(6-12-25(20)33-24)17-1-3-18(4-2-17)26(30)31/h1-4,6-8,10-13,22,24,28-29H,5,9,14-16H2,(H,30,31)