(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N)C=C1

InChI

InChI=1S/C20H20N4O4/c1-13-7-8-17-22-15(9-18(25)24(17)11-13)12-28-19(26)10-16(23-20(21)27)14-5-3-2-4-6-14/h2-9,11,16H,10,12H2,1H3,(H3,21,23,27)