3-[(3-bromophenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid

Systemtic Name: 3-[(3-bromophenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid Openeye Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid CAS Name: 3-[[(3-bromophenyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid IUPAC Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid Traditional Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propionic acid Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C19H20BrNO5/c1-3-26-16-8-7-12(10-17(16)25-2)15(11-18(22)23)21-19(24)13-5-4-6-14(20)9-13/h4-10,15H,3,11H2,1-2H3,(H,21,24)(H,22,23)