(phenylmethyl) N-[3-azanyl-4-(3-fluoranyl-5-prop-2-enoxy-phenyl)-2-oxidanyl-butyl]-N-[(3-ethylphenyl)methyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-azanyl-4-(3-fluoranyl-5-prop-2-enoxy-phenyl)-2-oxidanyl-butyl]-N-[(3-ethylphenyl)methyl]carbamate Openeye Name: benzyl N-[4-(3-allyloxy-5-fluoro-phenyl)-3-amino-2-hydroxy-butyl]-N-[(3-ethylphenyl)methyl]carbamate CAS Name: N-[3-amino-4-(3-fluoro-5-prop-2-enoxyphenyl)-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-amino-4-(3-fluoro-5-prop-2-enoxyphenyl)-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate Traditional Name: N-[4-(3-allyloxy-5-fluoro-phenyl)-3-amino-2-hydroxy-butyl]-N-(3-ethylbenzyl)carbamic acid benzyl ester Formula: C30H35FN2O4 MolecularWeight: 506.608303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CN(CC(C(CC2=CC(=CC(=C2)F)OCC=C)N)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)CN(CC(C(CC2=CC(=CC(=C2)F)OCC=C)N)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H35FN2O4/c1-3-13-36-27-16-25(15-26(31)18-27)17-28(32)29(34)20-33(19-24-12-8-11-22(4-2)14-24)30(35)37-21-23-9-6-5-7-10-23/h3,5-12,14-16,18,28-29,34H,1,4,13,17,19-21,32H2,2H3