2-(2-tert-butyl-3,4-dihydro-2H-chromen-3-yl)ethanoate; 4-carbamimidoyl-N-methyl-benzamide

Systemtic Name: 2-(2-tert-butyl-3,4-dihydro-2H-chromen-3-yl)ethanoate; 4-carbamimidoyl-N-methyl-benzamide Openeye Name: 2-(2-tert-butylchroman-3-yl)acetate; 4-carbamimidoyl-N-methyl-benzamide CAS Name: 2-(2-tert-butyl-3,4-dihydro-2H-1-benzopyran-3-yl)acetate; 4-carbamimidoyl-N-methylbenzamide IUPAC Name: 2-(2-tert-butyl-3,4-dihydro-2H-chromen-3-yl)acetate; 4-carbamimidoyl-N-methylbenzamide Traditional Name: 4-amidino-N-methyl-benzamide; 2-(2-tert-butylchroman-3-yl)acetate Formula: C24H30N3O4- MolecularWeight: 424.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CC2=CC=CC=C2O1)CC(=O)[O-].CNC(=O)C1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)(C)C1C(CC2=CC=CC=C2O1)CC(=O)[O-].CNC(=O)C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C15H20O3.C9H11N3O/c1-15(2,3)14-11(9-13(16)17)8-10-6-4-5-7-12(10)18-14;1-12-9(13)7-4-2-6(3-5-7)8(10)11/h4-7,11,14H,8-9H2,1-3H3,(H,16,17);2-5H,1H3,(H3,10,11)(H,12,13)/p-1