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

Systemtic Name: 2-[10-hexyl-3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]-3-phenyl-propanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]-3-phenyl-propanoic acid CAS Name: 2-[10-hexyl-3,7-dimethoxy-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenothiazinyl]-3-phenylpropanoic acid IUPAC Name: 2-[10-hexyl-3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenothiazin-4-yl]-3-phenylpropanoic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]-3-phenyl-propionic acid Formula: C35H44N2O6S MolecularWeight: 620.79866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=C(C=C2)OC)CNC(=O)OC(C)(C)C)SC3=C1C=CC(=C3C(CC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=C(C=C2)OC)CNC(=O)OC(C)(C)C)SC3=C1C=CC(=C3C(CC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C35H44N2O6S/c1-7-8-9-13-20-37-26-16-18-28(41-5)25(22-36-34(40)43-35(2,3)4)31(26)44-32-27(37)17-19-29(42-6)30(32)24(33(38)39)21-23-14-11-10-12-15-23/h10-12,14-19,24H,7-9,13,20-22H2,1-6H3,(H,36,40)(H,38,39)