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

Systemtic Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]-3-phenyl-propanoic acid Openeye Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]-3-phenyl-propanoic acid CAS Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-4-phenothiazinyl]-3-phenylpropanoic acid IUPAC Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxyphenothiazin-4-yl]-3-phenylpropanoic acid Traditional Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]-3-phenyl-propionic acid Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O4S/c1-4-5-6-10-17-32-23-13-15-25(35-2)22(19-31)28(23)37-29-24(32)14-16-26(36-3)27(29)21(30(33)34)18-20-11-8-7-9-12-20/h7-9,11-16,21H,4-6,10,17-19,31H2,1-3H3,(H,33,34)