3-bromanyl-N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-keto-ethyl]benzamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OCC

InChI

InChI=1S/C21H25BrN2O4/c1-4-27-18-10-9-15(12-19(18)28-5-2)14(3)24-20(25)13-23-21(26)16-7-6-8-17(22)11-16/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1