methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-(tert-butoxycarbonylamino)-3-oxo-3-(pentylamino)propyl]-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-(pentylamino)propyl]benzoate Traditional Name: 5-[3-(amylamino)-2-(tert-butoxycarbonylamino)-3-keto-propyl]-2-hydroxy-benzoic acid methyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)O)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC(=C(C=C1)O)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O6/c1-6-7-8-11-22-18(25)16(23-20(27)29-21(2,3)4)13-14-9-10-17(24)15(12-14)19(26)28-5/h9-10,12,16,24H,6-8,11,13H2,1-5H3,(H,22,25)(H,23,27)