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

Systemtic Name: 4-[4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid Openeye Name: 4-[4-[[(9S)-11-butyl-9-isobutyl-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid 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 IUPAC 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 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 Formula: C30H39N3O5 MolecularWeight: 521.64776

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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)O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O5/c1-4-5-16-33-27(34)26(19-21(2)3)31-29(37)30(33)14-17-32(18-15-30)20-22-6-10-24(11-7-22)38-25-12-8-23(9-13-25)28(35)36/h6-13,21,26H,4-5,14-20H2,1-3H3,(H,31,37)(H,35,36)/t26-/m0/s1