methyl 3-[4-(3-bromanylphenoxy)butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[4-(3-bromanylphenoxy)butanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[4-(3-bromophenoxy)butanoylamino]-3-phenyl-propanoate CAS Name: 3-[[4-(3-bromophenoxy)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromophenoxy)butanoylamino]-3-phenylpropanoate Traditional Name: 3-[4-(3-bromophenoxy)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H22BrNO4/c1-25-20(24)14-18(15-7-3-2-4-8-15)22-19(23)11-6-12-26-17-10-5-9-16(21)13-17/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,22,23)