(phenylmethyl) 2-[2-azanyl-7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptanoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-azanyl-7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptanoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[2-amino-7-(1,3-dioxoisoindolin-2-yl)heptanoyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-amino-7-(1,3-dioxo-2-isoindolyl)-1-oxoheptyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-amino-7-(1,3-dioxoisoindol-2-yl)heptanoyl]pyrrolidine-1-carboxylate Traditional Name: 2-(2-amino-7-phthalimido-heptanoyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CCCCCN3C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CCCCCN3C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C27H31N3O5/c28-22(14-5-2-8-16-30-25(32)20-12-6-7-13-21(20)26(30)33)24(31)23-15-9-17-29(23)27(34)35-18-19-10-3-1-4-11-19/h1,3-4,6-7,10-13,22-23H,2,5,8-9,14-18,28H2