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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: 3-amino-3-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)propanoate Traditional Name: 3-amino-3-(4-ethoxy-3-methoxy-phenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C29H29N5O5 MolecularWeight: 527.57106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H29N5O5/c1-3-38-25-15-13-20(17-26(25)37-2)21(30)18-28(35)39-24-12-8-7-11-23(24)31-29(36)32-27-16-14-22(33-34-27)19-9-5-4-6-10-19/h4-17,21H,3,18,30H2,1-2H3,(H2,31,32,34,36)