methyl 2-[1-(3-cyanophenyl)ethylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[1-(3-cyanophenyl)ethylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[1-(3-cyanophenyl)ethylamino]-3-methyl-pentanoate CAS Name: 2-[1-(3-cyanophenyl)ethylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[1-(3-cyanophenyl)ethylamino]-3-methylpentanoate Traditional Name: 2-[1-(3-cyanophenyl)ethylamino]-3-methyl-valeric acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(C)C1=CC=CC(=C1)C#N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(C)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H22N2O2/c1-5-11(2)15(16(19)20-4)18-12(3)14-8-6-7-13(9-14)10-17/h6-9,11-12,15,18H,5H2,1-4H3