3-[(R)-(4-ethoxycarbonylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-2-olate

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-2-olate Openeye Name: 3-[(R)-(4-ethoxycarbonylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(2-pyridylmethyl)pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperazinyl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(2-pyridinylmethyl)-2-pyridinolate IUPAC Name: 3-[(R)-(4-ethoxycarbonylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-2-olate Traditional Name: 3-[(R)-(4-carbethoxypiperazino)-(4-methoxyphenyl)methyl]-4-keto-6-methyl-1-(2-pyridylmethyl)pyridin-2-olate Formula: C27H31N4O5- MolecularWeight: 491.55884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)OC)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H](C2=CC=C(C=C2)OC)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)[O-]

InChI

InChI=1S/C27H32N4O5/c1-4-36-27(34)30-15-13-29(14-16-30)25(20-8-10-22(35-3)11-9-20)24-23(32)17-19(2)31(26(24)33)18-21-7-5-6-12-28-21/h5-12,17,25,33H,4,13-16,18H2,1-3H3/p-1/t25-/m1/s1