methyl 2-[1-(3,4-dimethylphenyl)ethylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[1-(3,4-dimethylphenyl)ethylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[1-(3,4-dimethylphenyl)ethylamino]-3-methyl-pentanoate CAS Name: 2-[1-(3,4-dimethylphenyl)ethylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[1-(3,4-dimethylphenyl)ethylamino]-3-methylpentanoate Traditional Name: 2-[1-(3,4-dimethylphenyl)ethylamino]-3-methyl-valeric acid methyl ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-7-11(2)16(17(19)20-6)18-14(5)15-9-8-12(3)13(4)10-15/h8-11,14,16,18H,7H2,1-6H3