2-[6-[(4-carbamimidoylphenyl)carbonylamino]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-[6-[(4-carbamimidoylbenzoyl)amino]-2-ethyl-chroman-3-yl]acetate CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[6-[(4-carbamimidoylbenzoyl)amino]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[6-[(4-amidinobenzoyl)amino]-2-ethyl-chroman-3-yl]acetate Formula: C21H22N3O4- MolecularWeight: 380.41708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

Isomeric SMILES

CCC1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-2-17-15(11-19(25)26)9-14-10-16(7-8-18(14)28-17)24-21(27)13-5-3-12(4-6-13)20(22)23/h3-8,10,15,17H,2,9,11H2,1H3,(H3,22,23)(H,24,27)(H,25,26)/p-1