3-[2-[(Z)-(7-diethoxyphosphoryl-5-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-[(Z)-(7-diethoxyphosphoryl-5-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-[(Z)-(7-diethoxyphosphoryl-5-methyl-2-oxo-indolin-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-[(Z)-(7-diethoxyphosphoryl-5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-[(Z)-(7-diethoxyphosphoryl-5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[(Z)-(7-diethoxyphosphoryl-2-keto-5-methyl-indolin-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C22H27N2O6P MolecularWeight: 446.433341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C2C(=CC(=C1)C)C(=CC3=C(C=C(N3)C)CCC(=O)O)C(=O)N2)OCC

Isomeric SMILES

CCOP(=O)(C1=C2C(=CC(=C1)C)/C(=C/C3=C(C=C(N3)C)CCC(=O)O)/C(=O)N2)OCC

InChI

InChI=1S/C22H27N2O6P/c1-5-29-31(28,30-6-2)19-10-13(3)9-16-17(22(27)24-21(16)19)12-18-15(7-8-20(25)26)11-14(4)23-18/h9-12,23H,5-8H2,1-4H3,(H,24,27)(H,25,26)/b17-12-