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

Systemtic Name: [6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl] 3-phenylpropanoate Openeye Name: [6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [6-(aminomethyl)-10-hexyl-3,7-dimethoxy-4-phenothiazinyl] ester IUPAC Name: [6-(aminomethyl)-10-hexyl-3,7-dimethoxyphenothiazin-4-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [6-(aminomethyl)-10-hexyl-3,7-dimethoxy-phenothiazin-4-yl] ester 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(=C3OC(=O)CCC4=CC=CC=C4)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=C(C=C2)OC)CN)SC3=C1C=CC(=C3OC(=O)CCC4=CC=CC=C4)OC

InChI

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