[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H28N2O5/c1-3-20-13-10-14-21(4-2)26(20)30-25(32)18-36-29(35)24(17-19-11-6-5-7-12-19)31-27(33)22-15-8-9-16-23(22)28(31)34/h5-16,24H,3-4,17-18H2,1-2H3,(H,30,32)