N-[2-tert-butyl-5-(4-cyclohexyl-3-oxidanyl-butyl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

Systemtic Name: N-[2-tert-butyl-5-(4-cyclohexyl-3-oxidanyl-butyl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Openeye Name: N-[2-tert-butyl-5-(4-cyclohexyl-3-hydroxy-butyl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide CAS Name: N-[2-tert-butyl-5-(4-cyclohexyl-3-hydroxybutyl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide IUPAC Name: N-[2-tert-butyl-5-(4-cyclohexyl-3-hydroxybutyl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Traditional Name: N-[2-tert-butyl-5-(4-cyclohexyl-3-hydroxy-butyl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide Formula: C35H43NO3 MolecularWeight: 525.72082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)O)NC(=O)C3C4=CC=CC=C4COC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)O)NC(=O)C3C4=CC=CC=C4COC5=CC=CC=C35

InChI

InChI=1S/C35H43NO3/c1-35(2,3)30-20-18-25(17-19-27(37)21-24-11-5-4-6-12-24)22-31(30)36-34(38)33-28-14-8-7-13-26(28)23-39-32-16-10-9-15-29(32)33/h7-10,13-16,18,20,22,24,27,33,37H,4-6,11-12,17,19,21,23H2,1-3H3,(H,36,38)