4-[2-azanylidene-7-[[4-(dioxidanylmethyl)phenyl]methyl-ethyl-amino]chromen-3-yl]benzoic acid

Systemtic Name: 4-[2-azanylidene-7-[[4-(dioxidanylmethyl)phenyl]methyl-ethyl-amino]chromen-3-yl]benzoic acid Openeye Name: 4-[7-[ethyl-[[4-(hydroperoxymethyl)phenyl]methyl]amino]-2-imino-chromen-3-yl]benzoic acid CAS Name: 4-[7-[ethyl-[[4-(hydroperoxymethyl)phenyl]methyl]amino]-2-imino-1-benzopyran-3-yl]benzoic acid IUPAC Name: 4-[7-[ethyl-[[4-(hydroperoxymethyl)phenyl]methyl]amino]-2-iminochromen-3-yl]benzoic acid Traditional Name: 4-[7-[ethyl-[4-(hydroperoxymethyl)benzyl]amino]-2-imino-chromen-3-yl]benzoic acid Formula: C26H24N2O5 MolecularWeight: 444.47916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)COO)C2=CC3=C(C=C2)C=C(C(=N)O3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)COO)C2=CC3=C(C=C2)C=C(C(=N)O3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H24N2O5/c1-2-28(15-17-3-5-18(6-4-17)16-32-31)22-12-11-21-13-23(25(27)33-24(21)14-22)19-7-9-20(10-8-19)26(29)30/h3-14,27,31H,2,15-16H2,1H3,(H,29,30)