diethyl (E)-5-azanyl-5-[(4-bromophenyl)methyl]hex-2-enedioate

Systemtic Name: diethyl (E)-5-azanyl-5-[(4-bromophenyl)methyl]hex-2-enedioate Openeye Name: diethyl (E)-5-amino-5-[(4-bromophenyl)methyl]hex-2-enedioate CAS Name: (E)-5-amino-5-[(4-bromophenyl)methyl]-2-hexenedioic acid diethyl ester IUPAC Name: diethyl (E)-5-amino-5-[(4-bromophenyl)methyl]hex-2-enedioate Traditional Name: (E)-5-amino-5-(4-bromobenzyl)hex-2-enedioic acid diethyl ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC(CC1=CC=C(C=C1)Br)(C(=O)OCC)N

Isomeric SMILES

CCOC(=O)/C=C/CC(CC1=CC=C(C=C1)Br)(C(=O)OCC)N

InChI

InChI=1S/C17H22BrNO4/c1-3-22-15(20)6-5-11-17(19,16(21)23-4-2)12-13-7-9-14(18)10-8-13/h5-10H,3-4,11-12,19H2,1-2H3/b6-5+