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

Systemtic Name: 3-[(3-bromanyl-4-methyl-phenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid Openeye Name: 3-[(3-bromo-4-methyl-benzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid CAS Name: 3-[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid IUPAC Name: 3-[(3-bromo-4-methylbenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid Traditional Name: 3-[(3-bromo-4-methyl-benzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propionic acid Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5/c1-4-27-17-8-7-13(10-18(17)26-3)16(11-19(23)24)22-20(25)14-6-5-12(2)15(21)9-14/h5-10,16H,4,11H2,1-3H3,(H,22,25)(H,23,24)