5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-3-carboxylic acid

Systemtic Name: 5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-3-carboxylic acid Openeye Name: 5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]furan-3-carboxylic acid CAS Name: 5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-furancarboxylic acid IUPAC Name: 5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]furan-3-carboxylic acid Traditional Name: 5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-3-furoic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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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)C4=NC5=CC=CC=C5O4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(O2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C(=O)O)C(C)C

InChI

InChI=1S/C29H30N2O5/c1-17(2)31(27(32)21-10-8-18(3)9-11-21)28-22(29(33)34)16-25(36-28)19-12-14-20(15-13-19)26-30-23-6-4-5-7-24(23)35-26/h4-7,12-18,21H,8-11H2,1-3H3,(H,33,34)