2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[3-(tert-butoxycarbonylamino)propanoyl]piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[3-(tert-butoxycarbonylamino)propanoyl]piperazino]ethyl ester Formula: C22H33ClN4O6 MolecularWeight: 484.97362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33ClN4O6/c1-22(2,3)33-21(30)25-6-5-19(28)27-9-7-26(8-10-27)11-12-32-20(29)15-13-16(23)17(24)14-18(15)31-4/h13-14H,5-12,24H2,1-4H3,(H,25,30)