2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(1-adamantylmethyl)carbamate

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(1-adamantylmethyl)carbamate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(1-adamantylmethyl)carbamate CAS Name: N-(1-adamantylmethyl)carbamic acid 2-[4-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(1-adamantylmethyl)carbamate Traditional Name: N-(1-adamantylmethyl)carbamic acid 2-[4-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)NCC23CC4CC(C2)CC(C4)C3)CC5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1CCOC(=O)NCC23CC4CC(C2)CC(C4)C3)CC5=CC6=CC=CC=C6O5

InChI

InChI=1S/C27H37N3O3/c31-26(28-19-27-15-20-11-21(16-27)13-22(12-20)17-27)32-10-9-29-5-7-30(8-6-29)18-24-14-23-3-1-2-4-25(23)33-24/h1-4,14,20-22H,5-13,15-19H2,(H,28,31)