2-(2,2-dideuterio-1,3-dihydroinden-1-yl)-6-methoxy-naphthalene-1-carboxylic acid

Systemtic Name: 2-(2,2-dideuterio-1,3-dihydroinden-1-yl)-6-methoxy-naphthalene-1-carboxylic acid Openeye Name: 2-(2,2-dideuterioindan-1-yl)-6-methoxy-naphthalene-1-carboxylic acid CAS Name: 2-(2,2-dideuterio-1,3-dihydroinden-1-yl)-6-methoxy-1-naphthalenecarboxylic acid IUPAC Name: 2-(2,2-dideuterio-1,3-dihydroinden-1-yl)-6-methoxynaphthalene-1-carboxylic acid Traditional Name: 2-(2,2-dideuterioindan-1-yl)-6-methoxy-1-naphthoic acid Formula: C21H18O3 MolecularWeight: 320.378144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C=C2)C3CCC4=CC=CC=C34)C(=O)O

Isomeric SMILES

[2H]C1(CC2=CC=CC=C2C1C3=C(C4=C(C=C3)C=C(C=C4)OC)C(=O)O)[2H]

InChI

InChI=1S/C21H18O3/c1-24-15-8-11-17-14(12-15)7-10-19(20(17)21(22)23)18-9-6-13-4-2-3-5-16(13)18/h2-5,7-8,10-12,18H,6,9H2,1H3,(H,22,23)/i9D2