4-[2-[[[3-[5-methoxy-2-(phenylcarbonyl)phenoxy]-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 4-[2-[[[3-[5-methoxy-2-(phenylcarbonyl)phenoxy]-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-(2-benzoyl-5-methoxy-phenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-(2-benzoyl-5-methoxyphenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-(2-benzoyl-5-methoxyphenoxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-(2-benzoyl-5-methoxy-phenoxy)-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C34H33NO7 MolecularWeight: 567.62832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OCC(CNCC3CCC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OCC(CNCC3CCC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C34H33NO7/c1-40-28-14-15-30(33(37)23-5-3-2-4-6-23)32(18-28)41-21-27(36)19-35-20-29-13-11-26-17-25(12-16-31(26)42-29)22-7-9-24(10-8-22)34(38)39/h2-10,12,14-18,27,29,35-36H,11,13,19-21H2,1H3,(H,38,39)