4-[[5,6-diethoxy-2-(3-oxidanylpropoxy)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide

Systemtic Name: 4-[[5,6-diethoxy-2-(3-oxidanylpropoxy)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Openeye Name: 4-[[5,6-diethoxy-2-(3-hydroxypropoxy)cyclohexa-1,5-dien-1-yl]amino]benzamidine CAS Name: 4-[[5,6-diethoxy-2-(3-hydroxypropoxy)-1-cyclohexa-1,5-dienyl]amino]benzenecarboximidamide IUPAC Name: 4-[[5,6-diethoxy-2-(3-hydroxypropoxy)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Traditional Name: 4-[[5,6-diethoxy-2-(3-hydroxypropoxy)cyclohexa-1,5-dien-1-yl]amino]benzamidine Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(CC1)OCCCO)NC2=CC=C(C=C2)C(=N)N)OCC

Isomeric SMILES

CCOC1=C(C(=C(CC1)OCCCO)NC2=CC=C(C=C2)C(=N)N)OCC

InChI

InChI=1S/C20H29N3O4/c1-3-25-17-11-10-16(27-13-5-12-24)18(19(17)26-4-2)23-15-8-6-14(7-9-15)20(21)22/h6-9,23-24H,3-5,10-13H2,1-2H3,(H3,21,22)