methyl 3-[4-[(4-bromanyl-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(4-bromanyl-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-bromo-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-bromo-2-methylanilino)-oxomethyl]-(2-hydroxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-bromo-2-methylphenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-bromo-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propionic acid methyl ester Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)N(CCO)C2=CC=C(C=C2)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)N(CCO)C2=CC=C(C=C2)CCC(=O)OC

InChI

InChI=1S/C20H23BrN2O4/c1-14-13-16(21)6-9-18(14)22-20(26)23(11-12-24)17-7-3-15(4-8-17)5-10-19(25)27-2/h3-4,6-9,13,24H,5,10-12H2,1-2H3,(H,22,26)