(9S)-11-butyl-9-(cyclohexylmethyl)-8-methyl-3-[(4-phenoxyphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: (9S)-11-butyl-9-(cyclohexylmethyl)-8-methyl-3-[(4-phenoxyphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-(cyclohexylmethyl)-8-methyl-3-[(4-phenoxyphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(cyclohexylmethyl)-8-methyl-3-[(4-phenoxyphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(cyclohexylmethyl)-8-methyl-3-[(4-phenoxyphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-(cyclohexylmethyl)-8-methyl-3-(4-phenoxybenzyl)-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C33H46ClN3O3 MolecularWeight: 568.18964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(N(C(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=CC=C4)C)CC5CCCCC5.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](N(C(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=CC=C4)C)CC5CCCCC5.Cl

InChI

InChI=1S/C33H45N3O3.ClH/c1-3-4-21-36-31(37)30(24-26-11-7-5-8-12-26)34(2)32(38)33(36)19-22-35(23-20-33)25-27-15-17-29(18-16-27)39-28-13-9-6-10-14-28;/h6,9-10,13-18,26,30H,3-5,7-8,11-12,19-25H2,1-2H3;1H/t30-;/m0./s1