methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=CC(=C(C=C2)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=CC(=C(C=C2)OC)Br)OC

InChI

InChI=1S/C22H26BrNO6/c1-27-18-8-5-14(11-16(18)23)6-10-21(25)24-17(13-22(26)30-4)15-7-9-19(28-2)20(12-15)29-3/h5,7-9,11-12,17H,6,10,13H2,1-4H3,(H,24,25)