(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H23N3O5/c1-14-7-5-10-18-23-17(12-19(26)25(14)18)13-29-20(27)15-8-6-9-16(11-15)24-21(28)30-22(2,3)4/h5-12H,13H2,1-4H3,(H,24,28)