3-(1-adamantyl)-4-methoxy-benzamide; 2-methoxybenzoic acid

Systemtic Name: 3-(1-adamantyl)-4-methoxy-benzamide; 2-methoxybenzoic acid Openeye Name: 3-(1-adamantyl)-4-methoxy-benzamide; 2-methoxybenzoic acid CAS Name: 3-(1-adamantyl)-4-methoxybenzamide; 2-methoxybenzoic acid IUPAC Name: 3-(1-adamantyl)-4-methoxybenzamide; 2-methoxybenzoic acid Traditional Name: 3-(1-adamantyl)-4-methoxy-benzamide; o-anisic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N)C23CC4CC(C2)CC(C4)C3.COC1=CC=CC=C1C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N)C23CC4CC(C2)CC(C4)C3.COC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C18H23NO2.C8H8O3/c1-21-16-3-2-14(17(19)20)7-15(16)18-8-11-4-12(9-18)6-13(5-11)10-18;1-11-7-5-3-2-4-6(7)8(9)10/h2-3,7,11-13H,4-6,8-10H2,1H3,(H2,19,20);2-5H,1H3,(H,9,10)