[4-[(4-cyano-2,2-dimethyl-butyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid

Systemtic Name: [4-[(4-cyano-2,2-dimethyl-butyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid Openeye Name: [1-benzyl-3-[(4-cyano-2,2-dimethyl-butyl)amino]-2-hydroxy-propyl]carbamic acid CAS Name: [4-[(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid IUPAC Name: [4-[(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid Traditional Name: [1-benzyl-3-[(4-cyano-2,2-dimethyl-butyl)amino]-2-hydroxy-propyl]carbamic acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CNCC(C(CC1=CC=CC=C1)NC(=O)O)O

Isomeric SMILES

CC(C)(CCC#N)CNCC(C(CC1=CC=CC=C1)NC(=O)O)O

InChI

InChI=1S/C18H27N3O3/c1-18(2,9-6-10-19)13-20-12-16(22)15(21-17(23)24)11-14-7-4-3-5-8-14/h3-5,7-8,15-16,20-22H,6,9,11-13H2,1-2H3,(H,23,24)