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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2CCO)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2CCO)C34CC5CC(C3)CC(C5)C4

InChI

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