2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[2-(tert-butoxycarbonylamino)acetyl]piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[2-(tert-butoxycarbonylamino)acetyl]piperazino]ethyl ester Formula: C21H31ClN4O6 MolecularWeight: 470.94704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C21H31ClN4O6/c1-21(2,3)32-20(29)24-13-18(27)26-7-5-25(6-8-26)9-10-31-19(28)14-11-15(22)16(23)12-17(14)30-4/h11-12H,5-10,13,23H2,1-4H3,(H,24,29)