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

Systemtic Name: 4-carbamimidoyl-N-methyl-benzamide; 2-(2-ethyl-3,4-dihydro-2H-chromen-3-yl)ethanoate Openeye Name: 4-carbamimidoyl-N-methyl-benzamide; 2-(2-ethylchroman-3-yl)acetate CAS Name: 4-carbamimidoyl-N-methylbenzamide; 2-(2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl)acetate IUPAC Name: 4-carbamimidoyl-N-methylbenzamide; 2-(2-ethyl-3,4-dihydro-2H-chromen-3-yl)acetate Traditional Name: 4-amidino-N-methyl-benzamide; 2-(2-ethylchroman-3-yl)acetate Formula: C22H26N3O4- MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=CC=CC=C2O1)CC(=O)[O-].CNC(=O)C1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCC1C(CC2=CC=CC=C2O1)CC(=O)[O-].CNC(=O)C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C13H16O3.C9H11N3O/c1-2-11-10(8-13(14)15)7-9-5-3-4-6-12(9)16-11;1-12-9(13)7-4-2-6(3-5-7)8(10)11/h3-6,10-11H,2,7-8H2,1H3,(H,14,15);2-5H,1H3,(H3,10,11)(H,12,13)/p-1