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1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one; (E)-but-2-enedioic acid

1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one; (E)-but-2-enedioic acid

Systemtic Name:1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one; (E)-but-2-enedioic acid
Openeye Name:1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one; fumaric acid
CAS Name:1-(3-bromophenyl)-2-(cyclopentylamino)-1-propanone; (E)-2-butenedioic acid
IUPAC Name:1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one; (E)-but-2-enedioic acid
Traditional Name:1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one; fumaric acid
Formula: C18H22BrNO5
MolecularWeight: 412.27498
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Br)NC2CCCC2.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Br)NC2CCCC2.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C14H18BrNO.C4H4O4/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11;5-3(6)1-2-4(7)8/h4-6,9-10,13,16H,2-3,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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