methyl 4-[4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoate hydrochloride

Systemtic Name: methyl 4-[4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoate hydrochloride Openeye Name: methyl 4-[4-[[(9S)-11-butyl-9-isobutyl-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoate hydrochloride CAS Name: 4-[4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoate hydrochloride Traditional Name: 4-[4-[[(9S)-11-butyl-9-isobutyl-7,10-diketo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid methyl ester hydrochloride Formula: C31H42ClN3O5 MolecularWeight: 572.13528

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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)OC)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)OC)CC(C)C.Cl

InChI

InChI=1S/C31H41N3O5.ClH/c1-5-6-17-34-28(35)27(20-22(2)3)32-30(37)31(34)15-18-33(19-16-31)21-23-7-11-25(12-8-23)39-26-13-9-24(10-14-26)29(36)38-4;/h7-14,22,27H,5-6,15-21H2,1-4H3,(H,32,37);1H/t27-;/m0./s1