2-benzamido-2-ethoxycarbonyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid

Systemtic Name: 2-benzamido-2-ethoxycarbonyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid Openeye Name: 2-benzamido-3-[4-(tert-butoxycarbonylamino)phenyl]-2-ethoxycarbonyl-hex-5-ynoic acid CAS Name: 2-benzamido-2-ethoxycarbonyl-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-hexynoic acid IUPAC Name: 2-benzamido-2-ethoxycarbonyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid Traditional Name: 2-benzamido-3-[4-(tert-butoxycarbonylamino)phenyl]-2-carbethoxy-hex-5-ynoic acid Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC#C)C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(CC#C)C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H30N2O7/c1-6-11-21(18-14-16-20(17-15-18)28-25(34)36-26(3,4)5)27(23(31)32,24(33)35-7-2)29-22(30)19-12-9-8-10-13-19/h1,8-10,12-17,21H,7,11H2,2-5H3,(H,28,34)(H,29,30)(H,31,32)