[1-[1-(2-azanylethanoyl)-2-cyano-pyrrolidin-2-yl]-2-adamantyl] N-(4-methoxyphenyl)carbamate

Systemtic Name: [1-[1-(2-azanylethanoyl)-2-cyano-pyrrolidin-2-yl]-2-adamantyl] N-(4-methoxyphenyl)carbamate Openeye Name: [1-[1-(2-aminoacetyl)-2-cyano-pyrrolidin-2-yl]-2-adamantyl] N-(4-methoxyphenyl)carbamate CAS Name: N-(4-methoxyphenyl)carbamic acid [1-[1-(2-amino-1-oxoethyl)-2-cyano-2-pyrrolidinyl]-2-adamantyl] ester IUPAC Name: [1-[1-(2-aminoacetyl)-2-cyanopyrrolidin-2-yl]-2-adamantyl] N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid [1-(2-cyano-1-glycyl-pyrrolidin-2-yl)-2-adamantyl] ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OC2C3CC4CC(C3)CC2(C4)C5(CCCN5C(=O)CN)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)OC2C3CC4CC(C3)CC2(C4)C5(CCCN5C(=O)CN)C#N

InChI

InChI=1S/C25H32N4O4/c1-32-20-5-3-19(4-6-20)28-23(31)33-22-18-10-16-9-17(11-18)13-24(22,12-16)25(15-27)7-2-8-29(25)21(30)14-26/h3-6,16-18,22H,2,7-14,26H2,1H3,(H,28,31)