tert-butyl 2-[[2-ethoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]-[3-(phenylmethoxycarbonylamino)propyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-ethoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]-[3-(phenylmethoxycarbonylamino)propyl]amino]ethanoate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)propyl-(2-ethoxy-3,4-dioxo-cyclobuten-1-yl)amino]acetate CAS Name: 2-[(2-ethoxy-3,4-dioxo-1-cyclobutenyl)-[3-(phenylmethoxycarbonylamino)propyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)-[3-(phenylmethoxycarbonylamino)propyl]amino]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)propyl-(2-ethoxy-3,4-diketo-cyclobuten-1-yl)amino]acetic acid tert-butyl ester Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)N(CCCNC(=O)OCC2=CC=CC=C2)CC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=O)C1=O)N(CCCNC(=O)OCC2=CC=CC=C2)CC(=O)OC(C)(C)C

InChI

InChI=1S/C23H30N2O7/c1-5-30-21-18(19(27)20(21)28)25(14-17(26)32-23(2,3)4)13-9-12-24-22(29)31-15-16-10-7-6-8-11-16/h6-8,10-11H,5,9,12-15H2,1-4H3,(H,24,29)