N-[2-tert-butyl-5-[(propan-2-ylcarbamoylamino)methyl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide

Systemtic Name: N-[2-tert-butyl-5-[(propan-2-ylcarbamoylamino)methyl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide Openeye Name: N-[2-tert-butyl-5-[(isopropylcarbamoylamino)methyl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide CAS Name: N-[2-tert-butyl-5-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide IUPAC Name: N-[2-tert-butyl-5-[(propan-2-ylcarbamoylamino)methyl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide Traditional Name: N-[2-tert-butyl-5-[(isopropylcarbamoylamino)methyl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)caprylamide Formula: C31H45N3O4 MolecularWeight: 523.7067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CNC(=O)NC(C)C)C(C)(C)C)C2=C3C(=CC=C2)OCCO3

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CNC(=O)NC(C)C)C(C)(C)C)C2=C3C(=CC=C2)OCCO3

InChI

InChI=1S/C31H45N3O4/c1-7-8-9-11-23(24-12-10-13-27-29(24)38-17-16-37-27)19-28(35)34-26-18-22(14-15-25(26)31(4,5)6)20-32-30(36)33-21(2)3/h10,12-15,18,21,23H,7-9,11,16-17,19-20H2,1-6H3,(H,34,35)(H2,32,33,36)