methyl 2-[[[5-bromanyl-2-(3-morpholin-4-ylpropanoylamino)phenyl]-phenyl-methyl]amino]ethanoate

Systemtic Name: methyl 2-[[[5-bromanyl-2-(3-morpholin-4-ylpropanoylamino)phenyl]-phenyl-methyl]amino]ethanoate Openeye Name: methyl 2-[[[5-bromo-2-(3-morpholinopropanoylamino)phenyl]-phenyl-methyl]amino]acetate CAS Name: 2-[[[5-bromo-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]phenyl]-phenylmethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[[5-bromo-2-(3-morpholin-4-ylpropanoylamino)phenyl]-phenylmethyl]amino]acetate Traditional Name: 2-[[[5-bromo-2-(3-morpholinopropanoylamino)phenyl]-phenyl-methyl]amino]acetic acid methyl ester Formula: C23H28BrN3O4 MolecularWeight: 490.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCN3CCOCC3

Isomeric SMILES

COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCN3CCOCC3

InChI

InChI=1S/C23H28BrN3O4/c1-30-22(29)16-25-23(17-5-3-2-4-6-17)19-15-18(24)7-8-20(19)26-21(28)9-10-27-11-13-31-14-12-27/h2-8,15,23,25H,9-14,16H2,1H3,(H,26,28)