5-(3-methoxycarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid

Systemtic Name: 5-(3-methoxycarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-(3-methoxycarbonylphenyl)pent-4-ynoic acid CAS Name: 5-(3-methoxycarbonylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid IUPAC Name: 5-(3-methoxycarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-5-(3-carbomethoxyphenyl)pent-4-ynoic acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-18(2,3)25-17(23)19-14(15(20)21)10-6-8-12-7-5-9-13(11-12)16(22)24-4/h5,7,9,11,14H,10H2,1-4H3,(H,19,23)(H,20,21)