methyl 3-[2-[[(1R)-1-(3-bromanyl-4-methoxy-phenyl)ethyl]amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[[(1R)-1-(3-bromanyl-4-methoxy-phenyl)ethyl]amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(C)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN[C@H](C)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C20H23BrN2O4/c1-12-5-6-15(20(25)27-4)10-17(12)23-19(24)11-22-13(2)14-7-8-18(26-3)16(21)9-14/h5-10,13,22H,11H2,1-4H3,(H,23,24)/t13-/m1/s1