2-[4-methyl-3-oxidanylidene-8-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-3-oxidanylidene-8-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-8-[(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-8-[[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]amino]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-8-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)amino]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-[(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H21N3O6/c1-24-9-11-5-6-12(7-14(11)23-15(21(24)29)8-18(26)27)22-20(28)13-10-30-17-4-2-3-16(25)19(13)17/h5-7,10,15,23H,2-4,8-9H2,1H3,(H,22,28)(H,26,27)