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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-4-oxidanylidene-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-4-oxo-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-4-oxo-2-phenoxy-3-[2-(1-pyrrolidinyl)ethyl]pentanoic acid IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-4-oxo-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-4-keto-2-phenoxy-3-(2-pyrrolidinoethyl)valeric acid Formula: C29H36FN3O6 MolecularWeight: 541.611043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(CCN3CCCC3)C(=O)C)(C(=O)O)OC4=CC=CC=C4)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(CCN3CCCC3)C(=O)C)(C(=O)O)OC4=CC=CC=C4)F)OCC

InChI

InChI=1S/C29H36FN3O6/c1-4-37-23-17-20-18-33(27(31)24(20)25(30)26(23)38-5-2)29(28(35)36,39-21-11-7-6-8-12-21)22(19(3)34)13-16-32-14-9-10-15-32/h6-8,11-12,17,22,31H,4-5,9-10,13-16,18H2,1-3H3,(H,35,36)