(4-aminocarbonylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: (4-aminocarbonylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-carbamoylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid (4-carbamoylphenyl) ester IUPAC Name: (4-carbamoylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-carbamoylphenyl) ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H27NO4/c1-29-22-7-4-19(24(28)30-20-5-2-18(3-6-20)23(26)27)11-21(22)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H2,26,27)