methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-4-(2-methoxy-2-oxidanylidene-ethyl)piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-4-(2-methoxy-2-oxidanylidene-ethyl)piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-(2-methoxy-2-oxo-ethyl)-4-piperidyl]acetate CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-4-(2-methoxy-2-oxoethyl)-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-(2-methoxy-2-oxoethyl)piperidin-4-yl]acetate Traditional Name: 2-[1-[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-4-(2-keto-2-methoxy-ethyl)-4-piperidyl]acetic acid methyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)OC

Isomeric SMILES

COC(=O)CC1(CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)OC

InChI

InChI=1S/C23H27N5O5/c1-32-18(29)11-23(12-19(30)33-2)7-9-28(10-8-23)22(31)17-13-26-21(27-14-17)16-5-3-15(4-6-16)20(24)25/h3-6,13-14H,7-12H2,1-2H3,(H3,24,25)