methyl 4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-[1-adamantyl(oxo)methyl]-4-piperidinylidene]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(adamantane-1-carbonyl)piperidin-4-ylidene]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-methoxy-benzoic acid methyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)C=C2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)C=C2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33NO4/c1-30-23-13-22(24(28)31-2)4-3-21(23)12-17-5-7-27(8-6-17)25(29)26-14-18-9-19(15-26)11-20(10-18)16-26/h3-4,12-13,18-20H,5-11,14-16H2,1-2H3