methyl 2-[(4-ethylphenyl)methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[(4-ethylphenyl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(4-ethylphenyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(4-ethylphenyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-ethylphenyl)methylamino]-3-methylpentanoate Traditional Name: 2-[(4-ethylbenzyl)amino]-3-methyl-valeric acid methyl ester Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(C(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(C(C)CC)C(=O)OC

InChI

InChI=1S/C16H25NO2/c1-5-12(3)15(16(18)19-4)17-11-14-9-7-13(6-2)8-10-14/h7-10,12,15,17H,5-6,11H2,1-4H3