N-[4,5-bis(chloranyl)-2-(heptylcarbamoylamino)phenyl]-3,5-ditert-butyl-4-oxidanyl-benzamide

Systemtic Name: N-[4,5-bis(chloranyl)-2-(heptylcarbamoylamino)phenyl]-3,5-ditert-butyl-4-oxidanyl-benzamide Openeye Name: 3,5-ditert-butyl-N-[4,5-dichloro-2-(heptylcarbamoylamino)phenyl]-4-hydroxy-benzamide CAS Name: 3,5-ditert-butyl-N-[4,5-dichloro-2-[[(heptylamino)-oxomethyl]amino]phenyl]-4-hydroxybenzamide IUPAC Name: 3,5-ditert-butyl-N-[4,5-dichloro-2-(heptylcarbamoylamino)phenyl]-4-hydroxybenzamide Traditional Name: 3,5-ditert-butyl-N-[4,5-dichloro-2-(heptylcarbamoylamino)phenyl]-4-hydroxy-benzamide Formula: C29H41Cl2N3O3 MolecularWeight: 550.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)NC1=CC(=C(C=C1NC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl

Isomeric SMILES

CCCCCCCNC(=O)NC1=CC(=C(C=C1NC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl

InChI

InChI=1S/C29H41Cl2N3O3/c1-8-9-10-11-12-13-32-27(37)34-24-17-22(31)21(30)16-23(24)33-26(36)18-14-19(28(2,3)4)25(35)20(15-18)29(5,6)7/h14-17,35H,8-13H2,1-7H3,(H,33,36)(H2,32,34,37)