ethyl 2-[[4-(4-azanylbutoxy)-5-bromanyl-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-(4-azanylbutoxy)-5-bromanyl-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-(4-aminobutoxy)-5-bromo-2-hydroxy-benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(4-aminobutoxy)-5-bromo-2-hydroxyphenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-aminobutoxy)-5-bromo-2-hydroxybenzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(4-aminobutoxy)-5-bromo-2-hydroxy-benzoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2O)OCCCCN)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2O)OCCCCN)Br

InChI

InChI=1S/C22H27BrN2O5/c1-2-29-22(28)18(12-15-8-4-3-5-9-15)25-21(27)16-13-17(23)20(14-19(16)26)30-11-7-6-10-24/h3-5,8-9,13-14,18,26H,2,6-7,10-12,24H2,1H3,(H,25,27)