2-[(4-aminophenyl)methyl]-8-(phenylmethyl)cyclooctan-1-one hydrochloride

Systemtic Name: 2-[(4-aminophenyl)methyl]-8-(phenylmethyl)cyclooctan-1-one hydrochloride Openeye Name: 2-[(4-aminophenyl)methyl]-8-benzyl-cyclooctanone hydrochloride CAS Name: 2-[(4-aminophenyl)methyl]-8-(phenylmethyl)-1-cyclooctanone hydrochloride IUPAC Name: 2-[(4-aminophenyl)methyl]-8-benzylcyclooctan-1-one hydrochloride Traditional Name: 2-(4-aminobenzyl)-8-benzyl-cyclooctanone hydrochloride Formula: C22H28ClNO MolecularWeight: 357.91682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(CC1)CC2=CC=C(C=C2)N)CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCC(C(=O)C(CC1)CC2=CC=C(C=C2)N)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H27NO.ClH/c23-21-13-11-18(12-14-21)16-20-10-6-2-5-9-19(22(20)24)15-17-7-3-1-4-8-17;/h1,3-4,7-8,11-14,19-20H,2,5-6,9-10,15-16,23H2;1H