11-[1-[4-(4-tert-butylphenyl)-4-oxidanyl-butyl]piperidin-4-yl]-6H-benzo[c][1]benzoxepin-11-ol

Systemtic Name: 11-[1-[4-(4-tert-butylphenyl)-4-oxidanyl-butyl]piperidin-4-yl]-6H-benzo[c][1]benzoxepin-11-ol Openeye Name: 11-[1-[4-(4-tert-butylphenyl)-4-hydroxy-butyl]-4-piperidyl]-6H-benzo[c][1]benzoxepin-11-ol CAS Name: 11-[1-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-4-piperidinyl]-6H-benzo[c][1]benzoxepin-11-ol IUPAC Name: 11-[1-[4-(4-tert-butylphenyl)-4-hydroxybutyl]piperidin-4-yl]-6H-benzo[c][1]benzoxepin-11-ol Traditional Name: 11-[1-[4-(4-tert-butylphenyl)-4-hydroxy-butyl]-4-piperidyl]-6H-benzo[c][1]benzoxepin-11-ol Formula: C33H41NO3 MolecularWeight: 499.68354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C3(C4=CC=CC=C4COC5=CC=CC=C53)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C3(C4=CC=CC=C4COC5=CC=CC=C53)O)O

InChI

InChI=1S/C33H41NO3/c1-32(2,3)26-16-14-24(15-17-26)30(35)12-8-20-34-21-18-27(19-22-34)33(36)28-10-5-4-9-25(28)23-37-31-13-7-6-11-29(31)33/h4-7,9-11,13-17,27,30,35-36H,8,12,18-23H2,1-3H3