4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenethyl-benzoic acid

Systemtic Name: 4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenethyl-benzoic acid Openeye Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2-phenethyl-benzoic acid CAS Name: 4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-phenethylbenzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenethylbenzoic acid Traditional Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2-phenethyl-benzoic acid Formula: C32H32N2O4 MolecularWeight: 508.60748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)CCC4=CC=CC=C4)OC1CNCC(C5=CN=CC=C5)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)CCC4=CC=CC=C4)OC1CNCC(C5=CN=CC=C5)O

InChI

InChI=1S/C32H32N2O4/c35-30(27-7-4-16-33-19-27)21-34-20-28-13-10-26-18-24(12-15-31(26)38-28)23-11-14-29(32(36)37)25(17-23)9-8-22-5-2-1-3-6-22/h1-7,11-12,14-19,28,30,34-35H,8-10,13,20-21H2,(H,36,37)