2-[(5-bromanylthiophen-2-yl)carbonyl-propan-2-yl-amino]-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-propan-2-yl-amino]-5-(phenylmethyl)benzoic acid Openeye Name: 5-benzyl-2-[(5-bromothiophene-2-carbonyl)-isopropyl-amino]benzoic acid CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-propan-2-ylamino]-5-(phenylmethyl)benzoic acid IUPAC Name: 5-benzyl-2-[(5-bromothiophene-2-carbonyl)-propan-2-ylamino]benzoic acid Traditional Name: 5-benzyl-2-[(5-bromothiophene-2-carbonyl)-isopropyl-amino]benzoic acid Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)N(C1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C22H20BrNO3S/c1-14(2)24(21(25)19-10-11-20(23)28-19)18-9-8-16(13-17(18)22(26)27)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,26,27)