tert-butyl 4-[ethyl-[(2-phenylmethoxyphenyl)methyl]amino]-2-fluoranyl-benzoate

Systemtic Name: tert-butyl 4-[ethyl-[(2-phenylmethoxyphenyl)methyl]amino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[(2-benzyloxyphenyl)methyl-ethyl-amino]-2-fluoro-benzoate CAS Name: 4-[ethyl-[(2-phenylmethoxyphenyl)methyl]amino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[ethyl-[(2-phenylmethoxyphenyl)methyl]amino]-2-fluorobenzoate Traditional Name: 4-[(2-benzoxybenzyl)-ethyl-amino]-2-fluoro-benzoic acid tert-butyl ester Formula: C27H30FNO3 MolecularWeight: 435.530403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1OCC2=CC=CC=C2)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCN(CC1=CC=CC=C1OCC2=CC=CC=C2)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C27H30FNO3/c1-5-29(22-15-16-23(24(28)17-22)26(30)32-27(2,3)4)18-21-13-9-10-14-25(21)31-19-20-11-7-6-8-12-20/h6-17H,5,18-19H2,1-4H3