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

Systemtic Name: 3-[4-[(Z)-[[4-[3-(dimethylamino)propanoyl-methyl-amino]phenyl]amino]-(6-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]phenyl]propanoic acid Openeye Name: 3-[4-[(Z)-[4-[3-(dimethylamino)propanoyl-methyl-amino]anilino]-(6-fluoro-2-oxo-indolin-3-ylidene)methyl]phenyl]propanoic acid CAS Name: 3-[4-[(Z)-[4-[[3-(dimethylamino)-1-oxopropyl]-methylamino]anilino]-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(Z)-[4-[3-(dimethylamino)propanoyl-methylamino]anilino]-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]propanoic acid Traditional Name: 3-[4-[(Z)-[4-[3-(dimethylamino)propanoyl-methyl-amino]anilino]-(6-fluoro-2-keto-indolin-3-ylidene)methyl]phenyl]propionic acid Formula: C30H31FN4O4 MolecularWeight: 530.589943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=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)CCC(=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/C30H31FN4O4/c1-34(2)17-16-26(36)35(3)23-12-10-22(11-13-23)32-29(20-7-4-19(5-8-20)6-15-27(37)38)28-24-14-9-21(31)18-25(24)33-30(28)39/h4-5,7-14,18,32H,6,15-17H2,1-3H3,(H,33,39)(H,37,38)/b29-28-