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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(4-methylphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(p-tolyl)propanoate CAS Name: 3-amino-3-(4-methylphenyl)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-(4-methylphenyl)propanoate Traditional Name: 3-amino-3-(p-tolyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H25N5O3/c1-18-11-13-19(14-12-18)21(28)17-26(33)35-24-10-6-5-9-23(24)29-27(34)30-25-16-15-22(31-32-25)20-7-3-2-4-8-20/h2-16,21H,17,28H2,1H3,(H2,29,30,32,34)