4-[[5-ethoxy-2-(2-hydroxyethyloxy)-6-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide

Systemtic Name: 4-[[5-ethoxy-2-(2-hydroxyethyloxy)-6-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Openeye Name: 4-[[5-ethoxy-2-(2-hydroxyethoxy)-6-isobutyl-cyclohexa-1,5-dien-1-yl]amino]benzamidine CAS Name: 4-[[5-ethoxy-2-(2-hydroxyethoxy)-6-(2-methylpropyl)-1-cyclohexa-1,5-dienyl]amino]benzenecarboximidamide IUPAC Name: 4-[[5-ethoxy-2-(2-hydroxyethoxy)-6-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Traditional Name: 4-[[5-ethoxy-2-(2-hydroxyethoxy)-6-isobutyl-cyclohexa-1,5-dien-1-yl]amino]benzamidine Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(CC1)OCCO)NC2=CC=C(C=C2)C(=N)N)CC(C)C

Isomeric SMILES

CCOC1=C(C(=C(CC1)OCCO)NC2=CC=C(C=C2)C(=N)N)CC(C)C

InChI

InChI=1S/C21H31N3O3/c1-4-26-18-9-10-19(27-12-11-25)20(17(18)13-14(2)3)24-16-7-5-15(6-8-16)21(22)23/h5-8,14,24-25H,4,9-13H2,1-3H3,(H3,22,23)