N1-[3,4-bis(oxidanyl)-1-phenyl-octan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-phenyl-octan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-heptyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(3,4-dihydroxy-1-phenyloctan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-phenyloctan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(1-benzyl-2,3-dihydroxy-heptyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)O

Isomeric SMILES

CCCCC(C(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)O

InChI

InChI=1S/C29H41N3O5/c1-4-7-13-25(33)26(34)24(16-20-11-9-8-10-12-20)31-28(36)22-17-21(27(30)35)18-23(19-22)29(37)32(14-5-2)15-6-3/h8-12,17-19,24-26,33-34H,4-7,13-16H2,1-3H3,(H2,30,35)(H,31,36)