2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4-oxidanylidene-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4-oxidanylidene-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid Openeye Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-4-oxo-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid CAS Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4-oxo-2-phenoxy-3-[2-(1-pyrrolidinyl)ethyl]pentanoic acid IUPAC Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-4-oxo-2-phenoxy-3-(2-pyrrolidin-1-ylethyl)pentanoic acid Traditional Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-4-keto-2-phenoxy-3-(2-pyrrolidinoethyl)valeric acid Formula: C29H36N4O6 MolecularWeight: 536.61934

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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)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O6/c1-4-38-25-16-20-18-33(26(30)22(20)17-23(25)27(35)31-3)29(28(36)37,39-21-10-6-5-7-11-21)24(19(2)34)12-15-32-13-8-9-14-32/h5-7,10-11,16-17,24,30H,4,8-9,12-15,18H2,1-3H3,(H,31,35)(H,36,37)