4-[3-(1-adamantylmethylamino)-2-oxidanyl-propoxy]-3-methoxy-benzoic acid

Systemtic Name: 4-[3-(1-adamantylmethylamino)-2-oxidanyl-propoxy]-3-methoxy-benzoic acid Openeye Name: 4-[3-(1-adamantylmethylamino)-2-hydroxy-propoxy]-3-methoxy-benzoic acid CAS Name: 4-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-3-methoxybenzoic acid IUPAC Name: 4-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-3-methoxybenzoic acid Traditional Name: 4-[3-(1-adamantylmethylamino)-2-hydroxy-propoxy]-3-methoxy-benzoic acid Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OCC(CNCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)OCC(CNCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C22H31NO5/c1-27-20-7-17(21(25)26)2-3-19(20)28-12-18(24)11-23-13-22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,14-16,18,23-24H,4-6,8-13H2,1H3,(H,25,26)