N-[4-methyl-1-oxidanylidene-1-[[(3S)-4-oxidanylidene-2,3-dihydro-1,6-benzodioxocin-3-yl]amino]pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[(3S)-4-oxidanylidene-2,3-dihydro-1,6-benzodioxocin-3-yl]amino]pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[3-methyl-1-[[(3S)-4-oxo-2,3-dihydro-1,6-benzodioxocin-3-yl]carbamoyl]butyl]quinoline-2-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[[(3S)-4-oxo-2,3-dihydro-1,6-benzodioxocin-3-yl]amino]pentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[4-methyl-1-oxo-1-[[(3S)-4-oxo-2,3-dihydro-1,6-benzodioxocin-3-yl]amino]pentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[[(3S)-4-keto-2,3-dihydro-1,6-benzodioxocin-3-yl]carbamoyl]-3-methyl-butyl]quinaldamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1COC2=CC=CC=C2OCC1=O)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)N[C@H]1COC2=CC=CC=C2OCC1=O)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27N3O5/c1-16(2)13-20(28-25(31)19-12-11-17-7-3-4-8-18(17)27-19)26(32)29-21-14-33-23-9-5-6-10-24(23)34-15-22(21)30/h3-12,16,20-21H,13-15H2,1-2H3,(H,28,31)(H,29,32)/t20?,21-/m0/s1