[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H30N2O5/c32-25(30-29-14-19-10-20(15-29)12-21(11-19)16-29)17-36-28(35)24(13-18-6-2-1-3-7-18)31-26(33)22-8-4-5-9-23(22)27(31)34/h1-9,19-21,24H,10-17H2,(H,30,32)