methyl 2-[[2-(cyanomethoxy)phenyl]methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[2-(cyanomethoxy)phenyl]methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(cyanomethoxy)phenyl]methylamino]-3-methyl-pentanoate CAS Name: 2-[[2-(cyanomethoxy)phenyl]methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(cyanomethoxy)phenyl]methylamino]-3-methylpentanoate Traditional Name: 2-[[2-(cyanomethoxy)benzyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC=CC=C1OCC#N

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC=CC=C1OCC#N

InChI

InChI=1S/C16H22N2O3/c1-4-12(2)15(16(19)20-3)18-11-13-7-5-6-8-14(13)21-10-9-17/h5-8,12,15,18H,4,10-11H2,1-3H3