(9S)-11-butyl-9-(2-methylpropyl)-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-(2-methylpropyl)-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-isobutyl-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-(2-methylpropyl)-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-(2-methylpropyl)-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-isobutyl-3-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]benzyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C34H47ClN4O4 MolecularWeight: 611.21438

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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)CC(C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C34H46N4O4.ClH/c1-4-5-20-38-32(40)30(23-25(2)3)35-33(41)34(38)16-21-36(22-17-34)24-26-8-12-28(13-9-26)42-29-14-10-27(11-15-29)31(39)37-18-6-7-19-37;/h8-15,25,30H,4-7,16-24H2,1-3H3,(H,35,41);1H/t30-;/m0./s1