2-[[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl-pyridin-4-yl-amino]methyl]benzoic acid

Systemtic Name: 2-[[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl-pyridin-4-yl-amino]methyl]benzoic acid Openeye Name: 2-[[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl-(4-pyridyl)amino]methyl]benzoic acid CAS Name: 2-[[(8-methoxy-2,2-dimethyl-1-benzopyran-7-yl)methyl-pyridin-4-ylamino]methyl]benzoic acid IUPAC Name: 2-[[(8-methoxy-2,2-dimethylchromen-7-yl)methyl-pyridin-4-ylamino]methyl]benzoic acid Traditional Name: 2-[[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl-(4-pyridyl)amino]methyl]benzoic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C(=C(C=C2)CN(CC3=CC=CC=C3C(=O)O)C4=CC=NC=C4)OC)C

Isomeric SMILES

CC1(C=CC2=C(O1)C(=C(C=C2)CN(CC3=CC=CC=C3C(=O)O)C4=CC=NC=C4)OC)C

InChI

InChI=1S/C26H26N2O4/c1-26(2)13-10-18-8-9-20(23(31-3)24(18)32-26)17-28(21-11-14-27-15-12-21)16-19-6-4-5-7-22(19)25(29)30/h4-15H,16-17H2,1-3H3,(H,29,30)