3-[(3-bromophenyl)carbonylamino]-3-(4-ethoxyphenyl)propanoic acid

Systemtic Name: 3-[(3-bromophenyl)carbonylamino]-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxyphenyl)propanoic acid CAS Name: 3-[[(3-bromophenyl)-oxomethyl]amino]-3-(4-ethoxyphenyl)propanoic acid IUPAC Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 3-[(3-bromobenzoyl)amino]-3-p-phenetyl-propionic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-2-24-15-8-6-12(7-9-15)16(11-17(21)22)20-18(23)13-4-3-5-14(19)10-13/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,22)