3-[(4-bromanyl-3-methyl-phenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-bromanyl-3-methyl-phenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[4-bromo-N-[(2-methoxycarbonylphenyl)methyl]-3-methyl-anilino]propanoic acid CAS Name: 3-[4-bromo-N-[(2-methoxycarbonylphenyl)methyl]-3-methylanilino]propanoic acid IUPAC Name: 3-[4-bromo-N-[(2-methoxycarbonylphenyl)methyl]-3-methylanilino]propanoic acid Traditional Name: 3-(4-bromo-N-(2-carbomethoxybenzyl)-3-methyl-anilino)propionic acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC(=O)O)CC2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC(=O)O)CC2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C19H20BrNO4/c1-13-11-15(7-8-17(13)20)21(10-9-18(22)23)12-14-5-3-4-6-16(14)19(24)25-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)