[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5/c31-25(29-16-7-12-20-8-3-1-4-9-20)19-35-28(34)22-13-14-23-24(18-22)27(33)30(26(23)32)17-15-21-10-5-2-6-11-21/h1-6,8-11,13-14,18H,7,12,15-17,19H2,(H,29,31)