[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(3-methoxyphenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(3-methoxyphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3-methoxyphenyl)propanoate CAS Name: 3-amino-3-(3-methoxyphenyl)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-methoxyphenyl)propanoate Traditional Name: 3-amino-3-(3-methoxyphenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O4/c1-35-20-11-7-10-19(16-20)21(28)17-26(33)36-24-13-6-5-12-23(24)29-27(34)30-25-15-14-22(31-32-25)18-8-3-2-4-9-18/h2-16,21H,17,28H2,1H3,(H2,29,30,32,34)