butyl 3-[4-(3-butoxycarbonyl-1-adamantyl)phenyl]adamantane-1-carboxylate

Systemtic Name: butyl 3-[4-(3-butoxycarbonyl-1-adamantyl)phenyl]adamantane-1-carboxylate Openeye Name: butyl 3-[4-(3-butoxycarbonyl-1-adamantyl)phenyl]adamantane-1-carboxylate CAS Name: 3-[4-[3-[butoxy(oxo)methyl]-1-adamantyl]phenyl]-1-adamantanecarboxylic acid butyl ester IUPAC Name: butyl 3-[4-(3-butoxycarbonyl-1-adamantyl)phenyl]adamantane-1-carboxylate Traditional Name: 3-[4-(3-butoxycarbonyl-1-adamantyl)phenyl]adamantane-1-carboxylic acid butyl ester Formula: C36H50O4 MolecularWeight: 546.7798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)(C6)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)(C6)C(=O)OCCCC

InChI

InChI=1S/C36H50O4/c1-3-5-11-39-31(37)35-19-25-13-26(20-35)16-33(15-25,23-35)29-7-9-30(10-8-29)34-17-27-14-28(18-34)22-36(21-27,24-34)32(38)40-12-6-4-2/h7-10,25-28H,3-6,11-24H2,1-2H3