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

Systemtic Name: 2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-[2-tert-butyl-6-[(4-carbamimidoylbenzoyl)amino]chroman-3-yl]acetate CAS Name: 2-[2-tert-butyl-6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[2-tert-butyl-6-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[6-[(4-amidinobenzoyl)amino]-2-tert-butyl-chroman-3-yl]acetate Formula: C23H26N3O4- MolecularWeight: 408.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C23H27N3O4/c1-23(2,3)20-16(12-19(27)28)10-15-11-17(8-9-18(15)30-20)26-22(29)14-6-4-13(5-7-14)21(24)25/h4-9,11,16,20H,10,12H2,1-3H3,(H3,24,25)(H,26,29)(H,27,28)/p-1