2-[[2-methoxy-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[2-methoxy-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[1-(4-benzyloxy-3-methoxy-phenyl)-2-methoxy-2-oxo-ethyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[2-methoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-methoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[1-(4-benzoxy-3-methoxy-phenyl)-2-keto-2-methoxy-ethyl]carbamoyl]cyclohexanecarboxylic acid Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)OC)NC(=O)C2CCCCC2C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)OC)NC(=O)C2CCCCC2C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29NO7/c1-31-21-14-17(12-13-20(21)33-15-16-8-4-3-5-9-16)22(25(30)32-2)26-23(27)18-10-6-7-11-19(18)24(28)29/h3-5,8-9,12-14,18-19,22H,6-7,10-11,15H2,1-2H3,(H,26,27)(H,28,29)