(2,2-dimethyl-1-phenyl-propyl) N-[3-[(2-chloranyl-6-phenoxy-phenyl)methylamino]-2-oxidanyl-propyl]carbamate

Systemtic Name: (2,2-dimethyl-1-phenyl-propyl) N-[3-[(2-chloranyl-6-phenoxy-phenyl)methylamino]-2-oxidanyl-propyl]carbamate Openeye Name: (2,2-dimethyl-1-phenyl-propyl) N-[3-[(2-chloro-6-phenoxy-phenyl)methylamino]-2-hydroxy-propyl]carbamate CAS Name: N-[3-[(2-chloro-6-phenoxyphenyl)methylamino]-2-hydroxypropyl]carbamic acid (2,2-dimethyl-1-phenylpropyl) ester IUPAC Name: (2,2-dimethyl-1-phenylpropyl) N-[3-[(2-chloro-6-phenoxyphenyl)methylamino]-2-hydroxypropyl]carbamate Traditional Name: N-[3-[(2-chloro-6-phenoxy-benzyl)amino]-2-hydroxy-propyl]carbamic acid (2,2-dimethyl-1-phenyl-propyl) ester Formula: C28H33ClN2O4 MolecularWeight: 497.02562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=CC=C1)OC(=O)NCC(CNCC2=C(C=CC=C2Cl)OC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C(C1=CC=CC=C1)OC(=O)NCC(CNCC2=C(C=CC=C2Cl)OC3=CC=CC=C3)O

InChI

InChI=1S/C28H33ClN2O4/c1-28(2,3)26(20-11-6-4-7-12-20)35-27(33)31-18-21(32)17-30-19-23-24(29)15-10-16-25(23)34-22-13-8-5-9-14-22/h4-16,21,26,30,32H,17-19H2,1-3H3,(H,31,33)