5-(4-bromophenyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-3-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-3-carboxylic acid Openeye Name: 5-(4-bromophenyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]furan-3-carboxylic acid CAS Name: 5-(4-bromophenyl)-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-furancarboxylic acid IUPAC Name: 5-(4-bromophenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]furan-3-carboxylic acid Traditional Name: 5-(4-bromophenyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-3-furoic acid Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C(O2)C3=CC=C(C=C3)Br)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(O2)C3=CC=C(C=C3)Br)C(=O)O)C(C)C

InChI

InChI=1S/C22H26BrNO4/c1-13(2)24(20(25)16-6-4-14(3)5-7-16)21-18(22(26)27)12-19(28-21)15-8-10-17(23)11-9-15/h8-14,16H,4-7H2,1-3H3,(H,26,27)