4-[4-ethoxycarbonyl-5-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-2-yl]benzoic acid

Systemtic Name: 4-[4-ethoxycarbonyl-5-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-2-yl]benzoic acid Openeye Name: 4-[4-ethoxycarbonyl-5-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-furyl]benzoic acid CAS Name: 4-[4-ethoxycarbonyl-5-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-furanyl]benzoic acid IUPAC Name: 4-[4-ethoxycarbonyl-5-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]furan-2-yl]benzoic acid Traditional Name: 4-[4-carbethoxy-5-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-furyl]benzoic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)C(=O)O)N(C(C)C)C(=O)C3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)C(=O)O)N(C(C)C)C(=O)C3CCC(CC3)C

InChI

InChI=1S/C25H31NO6/c1-5-31-25(30)20-14-21(17-10-12-19(13-11-17)24(28)29)32-23(20)26(15(2)3)22(27)18-8-6-16(4)7-9-18/h10-16,18H,5-9H2,1-4H3,(H,28,29)