ethyl 4-(2-azanylpentanoylamino)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(2-azanylpentanoylamino)-3-bromanyl-benzoate Openeye Name: ethyl 4-(2-aminopentanoylamino)-3-bromo-benzoate CAS Name: 4-[(2-amino-1-oxopentyl)amino]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-aminopentanoylamino)-3-bromobenzoate Traditional Name: 4-(2-aminopentanoylamino)-3-bromo-benzoic acid ethyl ester Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)C(=O)OCC)Br)N

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)C(=O)OCC)Br)N

InChI

InChI=1S/C14H19BrN2O3/c1-3-5-11(16)13(18)17-12-7-6-9(8-10(12)15)14(19)20-4-2/h6-8,11H,3-5,16H2,1-2H3,(H,17,18)