methyl 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenyl-propanoate CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenylpropanoate Traditional Name: 2-[(tert-butoxycarbonylamino)-(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]-3-phenyl-propionic acid methyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N3O6/c1-15-10-9-13-17-19(15)21(29)32-22(25-17)27(26-23(30)33-24(2,3)4)18(20(28)31-5)14-16-11-7-6-8-12-16/h6-13,18H,14H2,1-5H3,(H,26,30)