1-methoxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboperoxoic acid

Systemtic Name: 1-methoxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboperoxoic acid Openeye Name: 5-benzyl-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboperoxoic acid CAS Name: 1-methoxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboperoxoic acid IUPAC Name: 5-benzyl-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboperoxoic acid Traditional Name: 5-benzyl-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohept[b]indole-10-carboperoxoic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2CC4=CC=CC=C4)CCCCC3C(=O)OO

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2CC4=CC=CC=C4)CCCCC3C(=O)OO

InChI

InChI=1S/C22H23NO4/c1-26-19-13-7-12-18-21(19)20-16(22(24)27-25)10-5-6-11-17(20)23(18)14-15-8-3-2-4-9-15/h2-4,7-9,12-13,16,25H,5-6,10-11,14H2,1H3