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

Systemtic Name: methyl 2-[(3-hydroxyphenyl)methylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(3-hydroxyphenyl)methylamino]-4-methyl-pentanoate CAS Name: 2-[(3-hydroxyphenyl)methylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-hydroxyphenyl)methylamino]-4-methylpentanoate Traditional Name: 2-[(3-hydroxybenzyl)amino]-4-methyl-valeric acid methyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NCC1=CC(=CC=C1)O

Isomeric SMILES

CC(C)CC(C(=O)OC)NCC1=CC(=CC=C1)O

InChI

InChI=1S/C14H21NO3/c1-10(2)7-13(14(17)18-3)15-9-11-5-4-6-12(16)8-11/h4-6,8,10,13,15-16H,7,9H2,1-3H3