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

Systemtic Name: methyl (2S)-5-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(2-methoxyphenyl)pent-4-ynoate hydrochloride CAS Name: (2S)-5-(2-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-5-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(2-methoxyphenyl)pent-4-ynoic acid methyl ester hydrochloride Formula: C18H24ClNO5 MolecularWeight: 369.83986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1OC)C(=O)OC.Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=CC=C1OC)C(=O)OC.Cl

InChI

InChI=1S/C18H23NO5.ClH/c1-18(2,3)24-17(21)19-14(16(20)23-5)11-8-10-13-9-6-7-12-15(13)22-4;/h6-7,9,12,14H,11H2,1-5H3,(H,19,21);1H/t14-;/m0./s1