tert-butyl 5-[[4-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)amino]-4-oxidanylidene-butanoyl]amino]-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-[[4-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)amino]-4-oxidanylidene-butanoyl]amino]-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-[[4-[(3-methoxy-3-oxo-1-phenyl-propyl)amino]-4-oxo-butanoyl]amino]isoindoline-2-carboxylate CAS Name: 5-[[4-[(3-methoxy-3-oxo-1-phenylpropyl)amino]-1,4-dioxobutyl]amino]-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[4-[(3-methoxy-3-oxo-1-phenylpropyl)amino]-4-oxobutanoyl]amino]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-[[4-keto-4-[(3-keto-3-methoxy-1-phenyl-propyl)amino]butanoyl]amino]isoindoline-2-carboxylic acid tert-butyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C27H33N3O6/c1-27(2,3)36-26(34)30-16-19-10-11-21(14-20(19)17-30)28-23(31)12-13-24(32)29-22(15-25(33)35-4)18-8-6-5-7-9-18/h5-11,14,22H,12-13,15-17H2,1-4H3,(H,28,31)(H,29,32)