ethyl 3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoate

Systemtic Name: ethyl 3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoate Openeye Name: ethyl 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoate CAS Name: 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoate Traditional Name: 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid ethyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C28H31NO5/c1-2-32-28(31)23-8-6-7-20(16-23)21-12-14-27-22(15-21)11-13-26(34-27)18-29-17-24(30)19-33-25-9-4-3-5-10-25/h3-10,12,14-16,24,26,29-30H,2,11,13,17-19H2,1H3