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

Systemtic Name: 4-[2-[[(2-oxidanyl-3-phenylmethoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[(3-benzyloxy-2-hydroxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[(3-benzoxy-2-hydroxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OC1CNCC(COCC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OC1CNCC(COCC4=CC=CC=C4)O

InChI

InChI=1S/C27H29NO5/c29-24(18-32-17-19-4-2-1-3-5-19)15-28-16-25-12-10-23-14-22(11-13-26(23)33-25)20-6-8-21(9-7-20)27(30)31/h1-9,11,13-14,24-25,28-29H,10,12,15-18H2,(H,30,31)