2-[10-hexyl-3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[10-hexyl-3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]acetic acid CAS Name: 2-[10-hexyl-3,7-dimethoxy-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenothiazinyl]acetic acid IUPAC Name: 2-[10-hexyl-3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]acetic acid Formula: C28H38N2O6S MolecularWeight: 530.67612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=C(C=C2)OC)CC(=O)O)SC3=C1C=CC(=C3CNC(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=C(C=C2)OC)CC(=O)O)SC3=C1C=CC(=C3CNC(=O)OC(C)(C)C)OC

InChI

InChI=1S/C28H38N2O6S/c1-7-8-9-10-15-30-20-11-13-22(34-5)18(16-24(31)32)25(20)37-26-19(23(35-6)14-12-21(26)30)17-29-27(33)36-28(2,3)4/h11-14H,7-10,15-17H2,1-6H3,(H,29,33)(H,31,32)