[1-[[3-cyano-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate

Systemtic Name: [1-[[3-cyano-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[[3-cyano-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[3-cyano-5-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[[3-cyano-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[(3-cyano-1-methyl-5-methylol-pyrrolidin-3-yl)carbamoyl]-3-methyl-butyl] ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CC(N(C1)C)CO)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1(CC(N(C1)C)CO)C#N)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H30N4O4/c1-15(2)9-18(29-20(28)23-11-16-7-5-4-6-8-16)19(27)24-21(13-22)10-17(12-26)25(3)14-21/h4-8,15,17-18,26H,9-12,14H2,1-3H3,(H,23,28)(H,24,27)