methyl 2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-phenylethylideneamino)hex-4-ynoate

Systemtic Name: methyl 2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-phenylethylideneamino)hex-4-ynoate Openeye Name: methyl 6-(tert-butoxycarbonylamino)-2-methyl-2-(1-phenylethylideneamino)hex-4-ynoate CAS Name: 2-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(1-phenylethylideneamino)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-phenylethylideneamino)hex-4-ynoate Traditional Name: 6-(tert-butoxycarbonylamino)-2-methyl-2-(1-phenylethylideneamino)hex-4-ynoic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-16(17-12-8-7-9-13-17)23-21(5,18(24)26-6)14-10-11-15-22-19(25)27-20(2,3)4/h7-9,12-13H,14-15H2,1-6H3,(H,22,25)