ethyl 3-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 3-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoate CAS Name: 3-[[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]carbamoylamino]benzoate Traditional Name: 3-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)CC(CO)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)CC(CO)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C28H33N3O6/c1-2-36-27(34)21-7-6-8-23(16-21)31-28(35)30-22-13-11-20(12-14-22)15-24(18-32)29-17-25(33)19-37-26-9-4-3-5-10-26/h3-14,16,24-25,29,32-33H,2,15,17-19H2,1H3,(H2,30,31,35)