methyl 3-azanyl-2-[(3-cyanophenyl)methyl]-4-methyl-hexanoate

Systemtic Name: methyl 3-azanyl-2-[(3-cyanophenyl)methyl]-4-methyl-hexanoate Openeye Name: methyl 3-amino-2-[(3-cyanophenyl)methyl]-4-methyl-hexanoate CAS Name: 3-amino-2-[(3-cyanophenyl)methyl]-4-methylhexanoic acid methyl ester IUPAC Name: methyl 3-amino-2-[(3-cyanophenyl)methyl]-4-methylhexanoate Traditional Name: 3-amino-2-(3-cyanobenzyl)-4-methyl-hexanoic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC1=CC=CC(=C1)C#N)C(=O)OC)N

Isomeric SMILES

CCC(C)C(C(CC1=CC=CC(=C1)C#N)C(=O)OC)N

InChI

InChI=1S/C16H22N2O2/c1-4-11(2)15(18)14(16(19)20-3)9-12-6-5-7-13(8-12)10-17/h5-8,11,14-15H,4,9,18H2,1-3H3