3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]propylamino]propyl 2,2-dimethylpropanoate

Systemtic Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]propylamino]propyl 2,2-dimethylpropanoate Openeye Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]propylamino]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]propylamino]propyl ester IUPAC Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]propylamino]propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]propylamino]propyl ester Formula: C29H43ClN2O3 MolecularWeight: 503.11632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCNCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C(=O)OCCCNCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C29H43ClN2O3/c1-28(2,3)27(34)35-11-5-10-31-9-4-6-20-7-8-25(30)24(15-20)26(33)32-19-29-16-21-12-22(17-29)14-23(13-21)18-29/h7-8,15,21-23,31H,4-6,9-14,16-19H2,1-3H3,(H,32,33)