1-(1-adamantyl)isoquinoline-4-carboxylic acid

Systemtic Name: 1-(1-adamantyl)isoquinoline-4-carboxylic acid Openeye Name: 1-(1-adamantyl)isoquinoline-4-carboxylic acid CAS Name: 1-(1-adamantyl)-4-isoquinolinecarboxylic acid IUPAC Name: 1-(1-adamantyl)isoquinoline-4-carboxylic acid Traditional Name: 1-(1-adamantyl)isoquinoline-4-carboxylic acid Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC=C(C5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC=C(C5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C20H21NO2/c22-19(23)17-11-21-18(16-4-2-1-3-15(16)17)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,22,23)