methyl (3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate

Systemtic Name: methyl (3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate Openeye Name: methyl (3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate CAS Name: (3S)-3-(5-pyrimidinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid methyl ester IUPAC Name: methyl (3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate Traditional Name: (3S)-3-(5-pyrimidyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pelargonic acid methyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCCCCCC1=NC2=C(CCCN2)C=C1)C3=CN=CN=C3

Isomeric SMILES

COC(=O)C[C@H](CCCCCCC1=NC2=C(CCCN2)C=C1)C3=CN=CN=C3

InChI

InChI=1S/C22H30N4O2/c1-28-21(27)13-18(19-14-23-16-24-15-19)7-4-2-3-5-9-20-11-10-17-8-6-12-25-22(17)26-20/h10-11,14-16,18H,2-9,12-13H2,1H3,(H,25,26)/t18-/m0/s1