4-[2,4-dimethyl-5-[(E)-(2-oxidanylidene-1-phosphono-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]butanoic acid

Systemtic Name: 4-[2,4-dimethyl-5-[(E)-(2-oxidanylidene-1-phosphono-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]butanoic acid Openeye Name: 4-[2,4-dimethyl-5-[(E)-(2-oxo-1-phosphono-indolin-3-ylidene)methyl]-1H-pyrrol-3-yl]butanoic acid CAS Name: 4-[2,4-dimethyl-5-[(E)-(2-oxo-1-phosphono-3-indolylidene)methyl]-1H-pyrrol-3-yl]butanoic acid IUPAC Name: 4-[2,4-dimethyl-5-[(E)-(2-oxo-1-phosphonoindol-3-ylidene)methyl]-1H-pyrrol-3-yl]butanoic acid Traditional Name: 4-[5-[(E)-(2-keto-1-phosphono-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]butyric acid Formula: C19H21N2O6P MolecularWeight: 404.353601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCC(=O)O)C)C=C2C3=CC=CC=C3N(C2=O)P(=O)(O)O

Isomeric SMILES

CC1=C(NC(=C1CCCC(=O)O)C)/C=C/2\C3=CC=CC=C3N(C2=O)P(=O)(O)O

InChI

InChI=1S/C19H21N2O6P/c1-11-13(7-5-9-18(22)23)12(2)20-16(11)10-15-14-6-3-4-8-17(14)21(19(15)24)28(25,26)27/h3-4,6,8,10,20H,5,7,9H2,1-2H3,(H,22,23)(H2,25,26,27)/b15-10+