adamantane-1-carboxylic acid; 2-phenylazanylethanoic acid

Systemtic Name: adamantane-1-carboxylic acid; 2-phenylazanylethanoic acid Openeye Name: adamantane-1-carboxylic acid; 2-anilinoacetic acid CAS Name: 1-adamantanecarboxylic acid; 2-anilinoacetic acid IUPAC Name: adamantane-1-carboxylic acid; 2-anilinoacetic acid Traditional Name: adamantane-1-carboxylic acid; 2-anilinoacetic acid Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)O.C1=CC=C(C=C1)NCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)O.C1=CC=C(C=C1)NCC(=O)O

InChI

InChI=1S/C11H16O2.C8H9NO2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;10-8(11)6-9-7-4-2-1-3-5-7/h7-9H,1-6H2,(H,12,13);1-5,9H,6H2,(H,10,11)