1-[2-tert-butyl-1-methyl-5-oxidanylidene-4-[4-(phenylmethoxycarbonylamino)butyl]imidazolidin-4-yl]ethyl benzoate

Systemtic Name: 1-[2-tert-butyl-1-methyl-5-oxidanylidene-4-[4-(phenylmethoxycarbonylamino)butyl]imidazolidin-4-yl]ethyl benzoate Openeye Name: 1-[4-[4-(benzyloxycarbonylamino)butyl]-2-tert-butyl-1-methyl-5-oxo-imidazolidin-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[2-tert-butyl-1-methyl-5-oxo-4-[4-(phenylmethoxycarbonylamino)butyl]-4-imidazolidinyl]ethyl ester IUPAC Name: 1-[2-tert-butyl-1-methyl-5-oxo-4-[4-(phenylmethoxycarbonylamino)butyl]imidazolidin-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[4-[4-(benzyloxycarbonylamino)butyl]-2-tert-butyl-5-keto-1-methyl-imidazolidin-4-yl]ethyl ester Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C(=O)N(C(N1)C(C)(C)C)C)CCCCNC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1(C(=O)N(C(N1)C(C)(C)C)C)CCCCNC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H39N3O5/c1-21(37-24(33)23-16-10-7-11-17-23)29(26(34)32(5)25(31-29)28(2,3)4)18-12-13-19-30-27(35)36-20-22-14-8-6-9-15-22/h6-11,14-17,21,25,31H,12-13,18-20H2,1-5H3,(H,30,35)