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

Systemtic Name: 1-oxidanyl-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid Openeye Name: 5-benzyl-1-hydroxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid CAS Name: 1-hydroxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid IUPAC Name: 5-benzyl-1-hydroxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid Traditional Name: 5-benzyl-1-hydroxy-7,8,9,10-tetrahydro-6H-cyclohept[b]indole-10-carboxylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(C1)C(=O)O)C3=C(N2CC4=CC=CC=C4)C=CC=C3O

Isomeric SMILES

C1CCC2=C(C(C1)C(=O)O)C3=C(N2CC4=CC=CC=C4)C=CC=C3O

InChI

InChI=1S/C21H21NO3/c23-18-12-6-11-17-20(18)19-15(21(24)25)9-4-5-10-16(19)22(17)13-14-7-2-1-3-8-14/h1-3,6-8,11-12,15,23H,4-5,9-10,13H2,(H,24,25)