[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5/c1-5-6-7-15-8-10-16(11-9-15)22-17(23)14-26-18(24)12-13-21-19(25)27-20(2,3)4/h8-11H,5-7,12-14H2,1-4H3,(H,21,25)(H,22,23)