naphthalen-1-ylmethyl 12-(1-adamantylcarbamoylamino)dodecanoate

Systemtic Name: naphthalen-1-ylmethyl 12-(1-adamantylcarbamoylamino)dodecanoate Openeye Name: 1-naphthylmethyl 12-(1-adamantylcarbamoylamino)dodecanoate CAS Name: 12-[[(1-adamantylamino)-oxomethyl]amino]dodecanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 12-(1-adamantylcarbamoylamino)dodecanoate Traditional Name: 12-(1-adamantylcarbamoylamino)lauric acid 1-naphthylmethyl ester Formula: C34H48N2O3 MolecularWeight: 532.75652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C34H48N2O3/c37-32(39-25-30-15-12-14-29-13-9-10-16-31(29)30)17-8-6-4-2-1-3-5-7-11-18-35-33(38)36-34-22-26-19-27(23-34)21-28(20-26)24-34/h9-10,12-16,26-28H,1-8,11,17-25H2,(H2,35,36,38)