methyl 3-[[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]azetidin-3-yl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]azetidin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]azetidin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[oxo-[[1-[[4-(3-phenyl-2-quinoxalinyl)phenyl]methyl]-3-azetidinyl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]azetidin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-[4-(3-phenylquinoxalin-2-yl)benzyl]azetidin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C33H29N5O3 MolecularWeight: 543.61506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C2)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C2)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

InChI

InChI=1S/C33H29N5O3/c1-41-32(39)25-10-7-11-26(18-25)34-33(40)35-27-20-38(21-27)19-22-14-16-24(17-15-22)31-30(23-8-3-2-4-9-23)36-28-12-5-6-13-29(28)37-31/h2-18,27H,19-21H2,1H3,(H2,34,35,40)