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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-4-10(2)13(14(17)18-3)15-9-11-6-5-7-12(16)8-11/h5-8,10,13,15-16H,4,9H2,1-3H3