methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]-4-oxidanylidene-3-(phenylcarbamoylamino)butanoate

Systemtic Name: methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]-4-oxidanylidene-3-(phenylcarbamoylamino)butanoate Openeye Name: methyl 4-(N-tert-butoxycarbonylanilino)-4-oxo-3-(phenylcarbamoylamino)butanoate CAS Name: 3-[[anilino(oxo)methyl]amino]-4-(N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-4-oxo-3-(phenylcarbamoylamino)butanoate Traditional Name: 4-(N-tert-butoxycarbonylanilino)-4-keto-3-(phenylcarbamoylamino)butyric acid methyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C(=O)C(CC(=O)OC)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C(=O)C(CC(=O)OC)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O6/c1-23(2,3)32-22(30)26(17-13-9-6-10-14-17)20(28)18(15-19(27)31-4)25-21(29)24-16-11-7-5-8-12-16/h5-14,18H,15H2,1-4H3,(H2,24,25,29)