ethyl (2E)-2-(azepan-2-ylidene)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]ethanoate

Systemtic Name: ethyl (2E)-2-(azepan-2-ylidene)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]ethanoate Openeye Name: ethyl (2E)-2-(azepan-2-ylidene)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]acetate CAS Name: (2E)-2-(2-azepanylidene)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(azepan-2-ylidene)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]acetate Traditional Name: (2E)-2-(azepan-2-ylidene)-2-[carbethoxy-(carbethoxyamino)amino]acetic acid ethyl ester Formula: C16H27N3O6 MolecularWeight: 357.40208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCCN1)N(C(=O)OCC)NC(=O)OCC

Isomeric SMILES

CCOC(=O)/C(=C\1/CCCCCN1)/N(C(=O)OCC)NC(=O)OCC

InChI

InChI=1S/C16H27N3O6/c1-4-23-14(20)13(12-10-8-7-9-11-17-12)19(16(22)25-6-3)18-15(21)24-5-2/h17H,4-11H2,1-3H3,(H,18,21)/b13-12+