propan-2-yl 4-cyano-4-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]azepane-1-carboxylate

Systemtic Name: propan-2-yl 4-cyano-4-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]azepane-1-carboxylate Openeye Name: isopropyl 4-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-4-cyano-azepane-1-carboxylate CAS Name: 4-cyano-4-[[4-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]pentyl]amino]-1-azepanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-4-cyanoazepane-1-carboxylate Traditional Name: 4-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-4-cyano-azepane-1-carboxylic acid isopropyl ester Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCN(CC1)C(=O)OC(C)C)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCN(CC1)C(=O)OC(C)C)C#N)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C25H36N4O5/c1-18(2)15-21(34-23(31)27-16-20-9-6-5-7-10-20)22(30)28-25(17-26)11-8-13-29(14-12-25)24(32)33-19(3)4/h5-7,9-10,18-19,21H,8,11-16H2,1-4H3,(H,27,31)(H,28,30)