4-[4-[2-(9,9-dimethyl-6-oxidanyl-xanthen-3-yl)oxyethoxy]-3-propyl-phenyl]benzenecarboximidamide

Systemtic Name: 4-[4-[2-(9,9-dimethyl-6-oxidanyl-xanthen-3-yl)oxyethoxy]-3-propyl-phenyl]benzenecarboximidamide Openeye Name: 4-[4-[2-(6-hydroxy-9,9-dimethyl-xanthen-3-yl)oxyethoxy]-3-propyl-phenyl]benzamidine CAS Name: 4-[4-[2-[(6-hydroxy-9,9-dimethyl-3-xanthenyl)oxy]ethoxy]-3-propylphenyl]benzenecarboximidamide IUPAC Name: 4-[4-[2-(6-hydroxy-9,9-dimethylxanthen-3-yl)oxyethoxy]-3-propylphenyl]benzenecarboximidamide Traditional Name: 4-[4-[2-(6-hydroxy-9,9-dimethyl-xanthen-3-yl)oxyethoxy]-3-propyl-phenyl]benzamidine Formula: C33H34N2O4 MolecularWeight: 522.63406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCCOC3=CC4=C(C=C3)C(C5=C(O4)C=C(C=C5)O)(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCCOC3=CC4=C(C=C3)C(C5=C(O4)C=C(C=C5)O)(C)C

InChI

InChI=1S/C33H34N2O4/c1-4-5-24-18-23(21-6-8-22(9-7-21)32(34)35)10-15-29(24)38-17-16-37-26-12-14-28-31(20-26)39-30-19-25(36)11-13-27(30)33(28,2)3/h6-15,18-20,36H,4-5,16-17H2,1-3H3,(H3,34,35)