methyl 5-(3-chloranyl-5-methyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate

Systemtic Name: methyl 5-(3-chloranyl-5-methyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-5-(3-chloro-5-methyl-phenyl)pent-4-ynoate CAS Name: 5-(3-chloro-5-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid methyl ester IUPAC Name: methyl 5-(3-chloro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate Traditional Name: 2-(tert-butoxycarbonylamino)-5-(3-chloro-5-methyl-phenyl)pent-4-ynoic acid methyl ester Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO4/c1-12-9-13(11-14(19)10-12)7-6-8-15(16(21)23-5)20-17(22)24-18(2,3)4/h9-11,15H,8H2,1-5H3,(H,20,22)