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

Systemtic Name: 2-[10-hexyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-hexyl-phenothiazin-4-yl]acetic acid CAS Name: 2-[10-hexyl-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenothiazinyl]acetic acid IUPAC Name: 2-[10-hexyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]acetic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-hexyl-phenothiazin-4-yl]acetic acid Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC(=C2SC3=C(C=CC=C31)CNC(=O)OC(C)(C)C)CC(=O)O

Isomeric SMILES

CCCCCCN1C2=CC=CC(=C2SC3=C(C=CC=C31)CNC(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C26H34N2O4S/c1-5-6-7-8-15-28-20-13-9-11-18(16-22(29)30)23(20)33-24-19(12-10-14-21(24)28)17-27-25(31)32-26(2,3)4/h9-14H,5-8,15-17H2,1-4H3,(H,27,31)(H,29,30)