4-[[4-acetyloxy-2-(3-ethoxy-4-methoxy-phenyl)cyclohexyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-acetyloxy-2-(3-ethoxy-4-methoxy-phenyl)cyclohexyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-acetoxy-2-(3-ethoxy-4-methoxy-phenyl)cyclohexyl]carbamoyl]benzoic acid CAS Name: 4-[[[4-acetyloxy-2-(3-ethoxy-4-methoxyphenyl)cyclohexyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-acetyloxy-2-(3-ethoxy-4-methoxyphenyl)cyclohexyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-acetoxy-2-(3-ethoxy-4-methoxy-phenyl)cyclohexyl]carbamoyl]benzoic acid Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(CCC2NC(=O)C3=CC=C(C=C3)C(=O)O)OC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(CCC2NC(=O)C3=CC=C(C=C3)C(=O)O)OC(=O)C)OC

InChI

InChI=1S/C25H29NO7/c1-4-32-23-13-18(9-12-22(23)31-3)20-14-19(33-15(2)27)10-11-21(20)26-24(28)16-5-7-17(8-6-16)25(29)30/h5-9,12-13,19-21H,4,10-11,14H2,1-3H3,(H,26,28)(H,29,30)