2-[methyl(3-phenothiazin-10-ylpropanoyl)amino]-3-(3-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[methyl(3-phenothiazin-10-ylpropanoyl)amino]-3-(3-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(3-benzyloxyphenyl)-2-[methyl(3-phenothiazin-10-ylpropanoyl)amino]propanoic acid CAS Name: 2-[methyl-[1-oxo-3-(10-phenothiazinyl)propyl]amino]-3-(3-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[methyl(3-phenothiazin-10-ylpropanoyl)amino]-3-(3-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(3-benzoxyphenyl)-2-[methyl(3-phenothiazin-10-ylpropanoyl)amino]propionic acid Formula: C32H30N2O4S MolecularWeight: 538.6566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CN(C(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C32H30N2O4S/c1-33(28(32(36)37)21-24-12-9-13-25(20-24)38-22-23-10-3-2-4-11-23)31(35)18-19-34-26-14-5-7-16-29(26)39-30-17-8-6-15-27(30)34/h2-17,20,28H,18-19,21-22H2,1H3,(H,36,37)