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

Systemtic Name: 2-butoxy-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 2-butoxy-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 2-butoxy-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 2-butoxy-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 2-butoxy-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C30H35NO6 MolecularWeight: 505.602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C30H35NO6/c1-2-3-15-35-29-17-22(10-13-27(29)30(33)34)21-11-14-28-23(16-21)9-12-26(37-28)19-31-18-24(32)20-36-25-7-5-4-6-8-25/h4-8,10-11,13-14,16-17,24,26,31-32H,2-3,9,12,15,18-20H2,1H3,(H,33,34)