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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-4-9(2)13(14(18)19-3)15-8-10-5-6-11(16)12(17)7-10/h5-7,9,13,15-17H,4,8H2,1-3H3