methyl 2-[2-[4-azanyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-3-propyl-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-azanyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-3-propyl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-amino-2,6-dioxo-5-(1-piperidyl)-3-propyl-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-amino-2,6-dioxo-5-(1-piperidinyl)-3-propyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-amino-2,6-diketo-5-piperidino-3-propyl-pyrimidin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)OC)N3CCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)OC)N3CCCCC3)N

InChI

InChI=1S/C22H29N5O5/c1-3-11-26-19(23)18(25-12-7-4-8-13-25)20(29)27(22(26)31)14-17(28)24-16-10-6-5-9-15(16)21(30)32-2/h5-6,9-10H,3-4,7-8,11-14,23H2,1-2H3,(H,24,28)