methyl 2,2-dimethyl-4-[(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)carbamoyl]-6-(4-methylphenyl)-4-oxidanyl-hex-5-ynoate

Systemtic Name: methyl 2,2-dimethyl-4-[(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)carbamoyl]-6-(4-methylphenyl)-4-oxidanyl-hex-5-ynoate Openeye Name: methyl 4-hydroxy-2,2-dimethyl-4-[(4-methyl-1-oxo-2,3-benzoxazin-6-yl)carbamoyl]-6-(p-tolyl)hex-5-ynoate CAS Name: 4-hydroxy-2,2-dimethyl-4-[[(4-methyl-1-oxo-2,3-benzoxazin-6-yl)amino]-oxomethyl]-6-(4-methylphenyl)-5-hexynoic acid methyl ester IUPAC Name: methyl 4-hydroxy-2,2-dimethyl-4-[(4-methyl-1-oxo-2,3-benzoxazin-6-yl)carbamoyl]-6-(4-methylphenyl)hex-5-ynoate Traditional Name: 4-hydroxy-4-[(1-keto-4-methyl-2,3-benzoxazin-6-yl)carbamoyl]-2,2-dimethyl-6-(p-tolyl)hex-5-ynoic acid methyl ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(CC(C)(C)C(=O)OC)(C(=O)NC2=CC3=C(C=C2)C(=O)ON=C3C)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(CC(C)(C)C(=O)OC)(C(=O)NC2=CC3=C(C=C2)C(=O)ON=C3C)O

InChI

InChI=1S/C26H26N2O6/c1-16-6-8-18(9-7-16)12-13-26(32,15-25(3,4)24(31)33-5)23(30)27-19-10-11-20-21(14-19)17(2)28-34-22(20)29/h6-11,14,32H,15H2,1-5H3,(H,27,30)