4-[2-[[[3-[4-chloranyl-2-(1-phenylethyl)phenoxy]-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 4-[2-[[[3-[4-chloranyl-2-(1-phenylethyl)phenoxy]-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-[4-chloro-2-(1-phenylethyl)phenoxy]-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-[4-chloro-2-(1-phenylethyl)phenoxy]-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-[4-chloro-2-(1-phenylethyl)phenoxy]-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-[4-chloro-2-(1-phenylethyl)phenoxy]-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C34H34ClNO5 MolecularWeight: 572.09046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)OCC(CNCC3CCC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)OCC(CNCC3CCC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C34H34ClNO5/c1-22(23-5-3-2-4-6-23)31-18-28(35)13-16-33(31)40-21-29(37)19-36-20-30-14-11-27-17-26(12-15-32(27)41-30)24-7-9-25(10-8-24)34(38)39/h2-10,12-13,15-18,22,29-30,36-37H,11,14,19-21H2,1H3,(H,38,39)