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

Systemtic Name: 4-[[2-ethyl-5-(2-hydroxyethyloxy)-6-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Openeye Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-isobutyl-cyclohexa-1,5-dien-1-yl]amino]benzamidine CAS Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-(2-methylpropyl)-1-cyclohexa-1,5-dienyl]amino]benzenecarboximidamide IUPAC Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Traditional Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-isobutyl-cyclohexa-1,5-dien-1-yl]amino]benzamidine Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(CC1)OCCO)CC(C)C)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=C(C(=C(CC1)OCCO)CC(C)C)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H31N3O2/c1-4-15-7-10-19(26-12-11-25)18(13-14(2)3)20(15)24-17-8-5-16(6-9-17)21(22)23/h5-6,8-9,14,24-25H,4,7,10-13H2,1-3H3,(H3,22,23)