tert-butyl N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]-N-methyl-carbamate CAS Name: N-[2-[2-(1-adamantyl)ethyl-[oxo-(3-pyridin-4-ylpropylamino)methyl]amino]ethyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]-N-methylcarbamate Traditional Name: N-[2-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C29H46N4O3 MolecularWeight: 498.70054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

InChI

InChI=1S/C29H46N4O3/c1-28(2,3)36-27(35)32(4)14-15-33(26(34)31-10-5-6-22-7-11-30-12-8-22)13-9-29-19-23-16-24(20-29)18-25(17-23)21-29/h7-8,11-12,23-25H,5-6,9-10,13-21H2,1-4H3,(H,31,34)