ethyl 3-bromanyl-4-(butanoylamino)-5-(diethylaminomethyl)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(butanoylamino)-5-(diethylaminomethyl)benzoate Openeye Name: ethyl 3-bromo-4-(butanoylamino)-5-(diethylaminomethyl)benzoate CAS Name: 3-bromo-5-(diethylaminomethyl)-4-(1-oxobutylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(butanoylamino)-5-(diethylaminomethyl)benzoate Traditional Name: 3-bromo-4-butyramido-5-(diethylaminomethyl)benzoic acid ethyl ester Formula: C18H27BrN2O3 MolecularWeight: 399.32258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1Br)C(=O)OCC)CN(CC)CC

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1Br)C(=O)OCC)CN(CC)CC

InChI

InChI=1S/C18H27BrN2O3/c1-5-9-16(22)20-17-14(12-21(6-2)7-3)10-13(11-15(17)19)18(23)24-8-4/h10-11H,5-9,12H2,1-4H3,(H,20,22)