2-piperidin-1-ylethyl 5-chloranyl-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoate

Systemtic Name: 2-piperidin-1-ylethyl 5-chloranyl-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoate Openeye Name: 2-(1-piperidyl)ethyl 4-[6-(tert-butoxycarbonylamino)hexylamino]-5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxy-4-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]benzoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 5-chloro-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoate Traditional Name: 4-[6-(tert-butoxycarbonylamino)hexylamino]-5-chloro-2-methoxy-benzoic acid 2-piperidinoethyl ester Formula: C26H42ClN3O5 MolecularWeight: 512.08178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCNC1=C(C=C(C(=C1)OC)C(=O)OCCN2CCCCC2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCNC1=C(C=C(C(=C1)OC)C(=O)OCCN2CCCCC2)Cl

InChI

InChI=1S/C26H42ClN3O5/c1-26(2,3)35-25(32)29-13-9-6-5-8-12-28-22-19-23(33-4)20(18-21(22)27)24(31)34-17-16-30-14-10-7-11-15-30/h18-19,28H,5-17H2,1-4H3,(H,29,32)