methyl (2S)-5-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride

Systemtic Name: methyl (2S)-5-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(o-tolyl)pent-4-ynoate hydrochloride CAS Name: (2S)-5-(2-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-5-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(o-tolyl)pent-4-ynoic acid methyl ester hydrochloride Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CCC(C(=O)OC)NC(=O)OC(C)(C)C.Cl

Isomeric SMILES

CC1=CC=CC=C1C#CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C.Cl

InChI

InChI=1S/C18H23NO4.ClH/c1-13-9-6-7-10-14(13)11-8-12-15(16(20)22-5)19-17(21)23-18(2,3)4;/h6-7,9-10,15H,12H2,1-5H3,(H,19,21);1H/t15-;/m0./s1