2-[[(1S)-1-(4-bromanyl-2-methyl-phenyl)-3-methoxy-3-oxidanylidene-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(1S)-1-(4-bromanyl-2-methyl-phenyl)-3-methoxy-3-oxidanylidene-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[(1S)-1-(4-bromo-2-methyl-phenyl)-3-methoxy-3-oxo-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[(1S)-1-(4-bromo-2-methylphenyl)-3-methoxy-3-oxopropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(1S)-1-(4-bromo-2-methylphenyl)-3-methoxy-3-oxopropyl]carbamoyl]benzoic acid Traditional Name: 2-[[(1S)-1-(4-bromo-2-methyl-phenyl)-3-keto-3-methoxy-propyl]carbamoyl]benzoic acid Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(CC(=O)OC)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)[C@H](CC(=O)OC)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H18BrNO5/c1-11-9-12(20)7-8-13(11)16(10-17(22)26-2)21-18(23)14-5-3-4-6-15(14)19(24)25/h3-9,16H,10H2,1-2H3,(H,21,23)(H,24,25)/t16-/m0/s1