ethyl 2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: ethyl 5-(tert-butoxycarbonylamino)-2-[(3,4-dimethoxyphenyl)methylamino]pentanoate CAS Name: 2-[(3,4-dimethoxyphenyl)methylamino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 5-(tert-butoxycarbonylamino)-2-(veratrylamino)valeric acid ethyl ester Formula: C21H34N2O6 MolecularWeight: 410.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCNC(=O)OC(C)(C)C)NCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCOC(=O)C(CCCNC(=O)OC(C)(C)C)NCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C21H34N2O6/c1-7-28-19(24)16(9-8-12-22-20(25)29-21(2,3)4)23-14-15-10-11-17(26-5)18(13-15)27-6/h10-11,13,16,23H,7-9,12,14H2,1-6H3,(H,22,25)