[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-amino-3-(3,4-dimethoxyphenyl)propanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-amino-3-(3,4-dimethoxyphenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C28H27N5O5/c1-36-24-14-12-19(16-25(24)37-2)20(29)17-27(34)38-23-11-7-6-10-22(23)30-28(35)31-26-15-13-21(32-33-26)18-8-4-3-5-9-18/h3-16,20H,17,29H2,1-2H3,(H2,30,31,33,35)