(9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-(4-pyrrolidin-1-ylcarbonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-(4-pyrrolidin-1-ylcarbonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-[4-[oxo(1-pyrrolidinyl)methyl]phenoxy]phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]benzyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C37H51ClN4O4 MolecularWeight: 651.27824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)N5CCCC5)CC6CCCCC6.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)N5CCCC5)CC6CCCCC6.Cl

InChI

InChI=1S/C37H50N4O4.ClH/c1-2-3-23-41-35(43)33(26-28-9-5-4-6-10-28)38-36(44)37(41)19-24-39(25-20-37)27-29-11-15-31(16-12-29)45-32-17-13-30(14-18-32)34(42)40-21-7-8-22-40;/h11-18,28,33H,2-10,19-27H2,1H3,(H,38,44);1H/t33-;/m0./s1