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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic 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-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

InChI

InChI=1S/C24H29N3O4/c1-15-2-3-20-26-19(9-21(28)27(20)13-15)14-31-22(29)4-5-25-23(30)24-10-16-6-17(11-24)8-18(7-16)12-24/h2-3,9,13,16-18H,4-8,10-12,14H2,1H3,(H,25,30)