methyl-[(2-methylpropan-2-yl)oxycarbonyl]-(phenylmethyl)-[3-phenyl-2-(prop-2-enylamino)propanoyl]azanium

Systemtic Name: methyl-[(2-methylpropan-2-yl)oxycarbonyl]-(phenylmethyl)-[3-phenyl-2-(prop-2-enylamino)propanoyl]azanium Openeye Name: [2-(allylamino)-3-phenyl-propanoyl]-benzyl-tert-butoxycarbonyl-methyl-ammonium CAS Name: methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]-[1-oxo-3-phenyl-2-(prop-2-enylamino)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2-methylpropan-2-yl)oxycarbonyl]-[3-phenyl-2-(prop-2-enylamino)propanoyl]azanium Traditional Name: [2-(allylamino)-3-phenyl-propanoyl]-benzyl-tert-butoxycarbonyl-methyl-ammonium Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](C)(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NCC=C

Isomeric SMILES

CC(C)(C)OC(=O)[N+](C)(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NCC=C

InChI

InChI=1S/C25H33N2O3/c1-6-17-26-22(18-20-13-9-7-10-14-20)23(28)27(5,24(29)30-25(2,3)4)19-21-15-11-8-12-16-21/h6-16,22,26H,1,17-19H2,2-5H3/q+1