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

Systemtic Name: 2-[3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-10H-phenothiazin-4-yl]-3-phenyl-propanoic acid Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-3,7-dimethoxy-10H-phenothiazin-4-yl]-3-phenyl-propanoic acid CAS Name: 2-[3,7-dimethoxy-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-10H-phenothiazin-4-yl]-3-phenylpropanoic acid IUPAC Name: 2-[3,7-dimethoxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-10H-phenothiazin-4-yl]-3-phenylpropanoic acid Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-3,7-dimethoxy-10H-phenothiazin-4-yl]-3-phenyl-propionic acid Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1SC3=C(N2)C=CC(=C3C(CC4=CC=CC=C4)C(=O)O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC2=C1SC3=C(N2)C=CC(=C3C(CC4=CC=CC=C4)C(=O)O)OC)OC

InChI

InChI=1S/C29H32N2O6S/c1-29(2,3)37-28(34)30-16-19-22(35-4)13-11-20-25(19)38-26-21(31-20)12-14-23(36-5)24(26)18(27(32)33)15-17-9-7-6-8-10-17/h6-14,18,31H,15-16H2,1-5H3,(H,30,34)(H,32,33)