ethanedioic acid; 1-[1-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]-3-(phenylmethyl)urea

Systemtic Name: ethanedioic acid; 1-[1-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[1-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]urea; oxalic acid CAS Name: 1-[1-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-3-(phenylmethyl)urea; oxalic acid IUPAC Name: 1-benzyl-3-[1-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]urea; oxalic acid Traditional Name: 1-benzyl-3-[1-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]urea; oxalic acid Formula: C21H27N3O7 MolecularWeight: 433.45498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(COC1=CC=CC=C1)O)NC(=O)NCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(NCC(COC1=CC=CC=C1)O)NC(=O)NCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3O3.C2H2O4/c1-15(22-19(24)21-12-16-8-4-2-5-9-16)20-13-17(23)14-25-18-10-6-3-7-11-18;3-1(4)2(5)6/h2-11,15,17,20,23H,12-14H2,1H3,(H2,21,22,24);(H,3,4)(H,5,6)