3-[4-[(Z)-[[4-[2-(dimethylamino)ethanoyl-methyl-amino]phenyl]amino]-(6-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(Z)-[[4-[2-(dimethylamino)ethanoyl-methyl-amino]phenyl]amino]-(6-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]phenyl]propanoic acid Openeye Name: 3-[4-[(Z)-[4-[[2-(dimethylamino)acetyl]-methyl-amino]anilino]-(6-fluoro-2-oxo-indolin-3-ylidene)methyl]phenyl]propanoic acid CAS Name: 3-[4-[(Z)-[4-[[2-(dimethylamino)-1-oxoethyl]-methylamino]anilino]-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(Z)-[4-[[2-(dimethylamino)acetyl]-methylamino]anilino]-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]propanoic acid Traditional Name: 3-[4-[(Z)-[4-[[2-(dimethylamino)acetyl]-methyl-amino]anilino]-(6-fluoro-2-keto-indolin-3-ylidene)methyl]phenyl]propionic acid Formula: C29H29FN4O4 MolecularWeight: 516.563363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)N(C)C1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)F)NC2=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CN(C)CC(=O)N(C)C1=CC=C(C=C1)N/C(=C\2/C3=C(C=C(C=C3)F)NC2=O)/C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C29H29FN4O4/c1-33(2)17-25(35)34(3)22-12-10-21(11-13-22)31-28(19-7-4-18(5-8-19)6-15-26(36)37)27-23-14-9-20(30)16-24(23)32-29(27)38/h4-5,7-14,16,31H,6,15,17H2,1-3H3,(H,32,38)(H,36,37)/b28-27-