5-[5-[4-(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)oxyphenoxy]-4-oxidanyl-pentoxy]-2-oxidanyl-benzamide; phenylmethanamine

Systemtic Name: 5-[5-[4-(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)oxyphenoxy]-4-oxidanyl-pentoxy]-2-oxidanyl-benzamide; phenylmethanamine Openeye Name: 5-[5-[4-(1,4-dimethyl-6-oxo-pyrimidin-2-yl)oxyphenoxy]-4-hydroxy-pentoxy]-2-hydroxy-benzamide; phenylmethanamine CAS Name: 5-[5-[4-[(1,4-dimethyl-6-oxo-2-pyrimidinyl)oxy]phenoxy]-4-hydroxypentoxy]-2-hydroxybenzamide; phenylmethanamine IUPAC Name: 5-[5-[4-(1,4-dimethyl-6-oxopyrimidin-2-yl)oxyphenoxy]-4-hydroxypentoxy]-2-hydroxybenzamide; phenylmethanamine Traditional Name: benzylamine; 2-hydroxy-5-[4-hydroxy-5-[4-(6-keto-1,4-dimethyl-pyrimidin-2-yl)oxyphenoxy]pentoxy]benzamide Formula: C31H36N4O7 MolecularWeight: 576.64014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)OC2=CC=C(C=C2)OCC(CCCOC3=CC(=C(C=C3)O)C(=O)N)O)C.C1=CC=C(C=C1)CN

Isomeric SMILES

CC1=CC(=O)N(C(=N1)OC2=CC=C(C=C2)OCC(CCCOC3=CC(=C(C=C3)O)C(=O)N)O)C.C1=CC=C(C=C1)CN

InChI

InChI=1S/C24H27N3O7.C7H9N/c1-15-12-22(30)27(2)24(26-15)34-18-7-5-17(6-8-18)33-14-16(28)4-3-11-32-19-9-10-21(29)20(13-19)23(25)31;8-6-7-4-2-1-3-5-7/h5-10,12-13,16,28-29H,3-4,11,14H2,1-2H3,(H2,25,31);1-5H,6,8H2