methyl 1-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[(3-phenyl-2-phthalimido-propanoyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

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