methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(3,4-dihydroxyphenyl)methylamino]-4-methyl-pentanoate CAS Name: 2-[(3,4-dihydroxyphenyl)methylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dihydroxyphenyl)methylamino]-4-methylpentanoate Traditional Name: 4-methyl-2-(protocatechuylamino)valeric acid methyl ester Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-9(2)6-11(14(18)19-3)15-8-10-4-5-12(16)13(17)7-10/h4-5,7,9,11,15-17H,6,8H2,1-3H3