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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (9-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 (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-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-9-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=CC=CN2C1=NC(=CC2=O)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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