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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCO)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCO)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO5/c1-32-24-7-4-21(13-23(24)27-14-17-10-18(15-27)12-19(11-17)16-27)25(30)28-22-5-2-20(3-6-22)26(31)33-9-8-29/h2-7,13,17-19,29H,8-12,14-16H2,1H3,(H,28,30)