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

Systemtic Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]acetic acid CAS Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-4-phenothiazinyl]acetic acid IUPAC Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxyphenothiazin-4-yl]acetic acid Traditional Name: 2-[6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl]acetic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=C(C=C2)OC)CC(=O)O)SC3=C1C=CC(=C3CN)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=C(C=C2)OC)CC(=O)O)SC3=C1C=CC(=C3CN)OC

InChI

InChI=1S/C23H30N2O4S/c1-4-5-6-7-12-25-17-8-10-19(28-2)15(13-21(26)27)22(17)30-23-16(14-24)20(29-3)11-9-18(23)25/h8-11H,4-7,12-14,24H2,1-3H3,(H,26,27)