dimethyl 5-[[2-(1-ethoxycarbonylpiperidin-4-yl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(1-ethoxycarbonylpiperidin-4-yl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-ethoxycarbonyl-4-piperidyl)-3-oxo-isoindolin-1-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1-ethoxycarbonyl-4-piperidinyl)-3-oxo-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-ethoxycarbonylpiperidin-4-yl)-3-oxo-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-carbethoxy-4-piperidyl)-3-keto-isoindolin-1-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H29N3O7/c1-4-36-26(33)28-11-9-19(10-12-28)29-22(20-7-5-6-8-21(20)23(29)30)27-18-14-16(24(31)34-2)13-17(15-18)25(32)35-3/h5-8,13-15,19,22,27H,4,9-12H2,1-3H3