ethyl 3-[1-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperidin-4-yl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[1-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperidin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[1-(2-methyl-1,3-dioxo-isoindoline-5-carbonyl)-4-piperidyl]-3-phenyl-propanoate CAS Name: 3-[1-[(2-methyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-4-piperidinyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]-3-phenylpropanoate Traditional Name: 3-[1-(1,3-diketo-2-methyl-isoindoline-5-carbonyl)-4-piperidyl]-3-phenyl-propionic acid ethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5/c1-3-33-23(29)16-21(17-7-5-4-6-8-17)18-11-13-28(14-12-18)24(30)19-9-10-20-22(15-19)26(32)27(2)25(20)31/h4-10,15,18,21H,3,11-14,16H2,1-2H3