tert-butyl N-[(2S)-1-(2-cyanoethylamino)-5-(2-methoxyphenyl)-1-oxidanylidene-pent-4-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(2-cyanoethylamino)-5-(2-methoxyphenyl)-1-oxidanylidene-pent-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(2-cyanoethylcarbamoyl)-4-(2-methoxyphenyl)but-3-ynyl]carbamate CAS Name: N-[(2S)-1-(2-cyanoethylamino)-5-(2-methoxyphenyl)-1-oxopent-4-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-cyanoethylamino)-5-(2-methoxyphenyl)-1-oxopent-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-(2-cyanoethylcarbamoyl)-4-(2-methoxyphenyl)but-3-ynyl]carbamic acid tert-butyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1OC)C(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-16(18(24)22-14-8-13-21)11-7-10-15-9-5-6-12-17(15)26-4/h5-6,9,12,16H,8,11,14H2,1-4H3,(H,22,24)(H,23,25)/t16-/m0/s1