4-[3-(3-bromophenyl)propanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[3-(3-bromophenyl)propanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[3-(3-bromophenyl)propanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[3-(3-bromophenyl)propanoylamino]-3-methylbenzoic acid Traditional Name: 4-[3-(3-bromophenyl)propanoylamino]-3-methyl-benzoic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO3/c1-11-9-13(17(21)22)6-7-15(11)19-16(20)8-5-12-3-2-4-14(18)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,19,20)(H,21,22)