ethyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: ethyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]-2-oxidanyl-benzoate Openeye Name: ethyl 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]-2-hydroxy-benzoate CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]amino]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1-adamantyl)-4-methoxybenzoyl]amino]-2-hydroxybenzoate Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]-2-hydroxy-benzoic acid ethyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C27H31NO5/c1-3-33-26(31)21-6-5-20(12-23(21)29)28-25(30)19-4-7-24(32-2)22(11-19)27-13-16-8-17(14-27)10-18(9-16)15-27/h4-7,11-12,16-18,29H,3,8-10,13-15H2,1-2H3,(H,28,30)