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

Systemtic Name: 4-[2-[[(3-naphthalen-2-yloxy-2-oxidanyl-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[2-hydroxy-3-(2-naphthyloxy)propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[2-hydroxy-3-(2-naphthalenyloxy)propyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[2-hydroxy-3-(2-naphthoxy)propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C30H29NO5 MolecularWeight: 483.55496

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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=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OC1CNCC(COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C30H29NO5/c32-26(19-35-27-12-9-20-3-1-2-4-23(20)16-27)17-31-18-28-13-10-25-15-24(11-14-29(25)36-28)21-5-7-22(8-6-21)30(33)34/h1-9,11-12,14-16,26,28,31-32H,10,13,17-19H2,(H,33,34)