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

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(tert-butoxycarbonylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(tert-butoxycarbonylamino)piperidino]ethyl ester Formula: C20H30ClN3O5 MolecularWeight: 427.9223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C20H30ClN3O5/c1-20(2,3)29-19(26)23-13-5-7-24(8-6-13)9-10-28-18(25)14-11-15(21)16(22)12-17(14)27-4/h11-13H,5-10,22H2,1-4H3,(H,23,26)