tert-butyl N-[(3S)-6-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-hex-5-yn-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-6-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-hex-5-yn-3-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-isopropyl-4-(4-methoxyphenyl)-2-oxo-but-3-ynyl]carbamate CAS Name: N-[(3S)-6-(4-methoxyphenyl)-2-methyl-4-oxohex-5-yn-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-6-(4-methoxyphenyl)-2-methyl-4-oxohex-5-yn-3-yl]carbamate Traditional Name: N-[(1S)-1-isopropyl-2-keto-4-(4-methoxyphenyl)but-3-ynyl]carbamic acid tert-butyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)C#CC1=CC=C(C=C1)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25NO4/c1-13(2)17(20-18(22)24-19(3,4)5)16(21)12-9-14-7-10-15(23-6)11-8-14/h7-8,10-11,13,17H,1-6H3,(H,20,22)/t17-/m0/s1