ethyl 5-(4-ethynylphenyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-3-carboxylate

Systemtic Name: ethyl 5-(4-ethynylphenyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]furan-3-carboxylate Openeye Name: ethyl 5-(4-ethynylphenyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]furan-3-carboxylate CAS Name: 5-(4-ethynylphenyl)-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-ethynylphenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]furan-3-carboxylate Traditional Name: 5-(4-ethynylphenyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]furan-3-carboxylic acid ethyl ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO4/c1-6-19-10-14-20(15-11-19)23-16-22(26(29)30-7-2)25(31-23)27(17(3)4)24(28)21-12-8-18(5)9-13-21/h1,10-11,14-18,21H,7-9,12-13H2,2-5H3