(phenylmethyl) 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-[dimethylamino(oxo)methyl]phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C37H37NO3 MolecularWeight: 543.69458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN(C)C(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C37H37NO3/c1-38(2)35(39)33-13-12-31(19-34(33)37-20-25-14-26(21-37)16-27(15-25)22-37)29-8-9-30-18-32(11-10-28(30)17-29)36(40)41-23-24-6-4-3-5-7-24/h3-13,17-19,25-27H,14-16,20-23H2,1-2H3