2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxidanylidene-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxidanylidene-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid Openeye Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-4-oxo-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid CAS Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-2-phenoxy-3-[2-(1-pyrrolidinyl)ethyl]pentanoic acid IUPAC Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid Traditional Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-4-keto-2-phenoxy-3-(2-pyrrolidinoethyl)valeric acid Formula: C27H32FN3O6 MolecularWeight: 513.557883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCN1CCCC1)C(C(=O)O)(N2CC3=CC(=C(C(=C3C2=N)F)OC)OC)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)C(CCN1CCCC1)C(C(=O)O)(N2CC3=CC(=C(C(=C3C2=N)F)OC)OC)OC4=CC=CC=C4

InChI

InChI=1S/C27H32FN3O6/c1-17(32)20(11-14-30-12-7-8-13-30)27(26(33)34,37-19-9-5-4-6-10-19)31-16-18-15-21(35-2)24(36-3)23(28)22(18)25(31)29/h4-6,9-10,15,20,29H,7-8,11-14,16H2,1-3H3,(H,33,34)