2-(aminomethyl)-4-(2,3,6-triethoxyphenyl)pentanoic acid

Systemtic Name: 2-(aminomethyl)-4-(2,3,6-triethoxyphenyl)pentanoic acid Openeye Name: 2-(aminomethyl)-4-(2,3,6-triethoxyphenyl)pentanoic acid CAS Name: 2-(aminomethyl)-4-(2,3,6-triethoxyphenyl)pentanoic acid IUPAC Name: 2-(aminomethyl)-4-(2,3,6-triethoxyphenyl)pentanoic acid Traditional Name: 2-(aminomethyl)-4-(2,3,6-triethoxyphenyl)valeric acid Formula: C18H29NO5 MolecularWeight: 339.42656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)OCC)OCC)C(C)CC(CN)C(=O)O

Isomeric SMILES

CCOC1=C(C(=C(C=C1)OCC)OCC)C(C)CC(CN)C(=O)O

InChI

InChI=1S/C18H29NO5/c1-5-22-14-8-9-15(23-6-2)17(24-7-3)16(14)12(4)10-13(11-19)18(20)21/h8-9,12-13H,5-7,10-11,19H2,1-4H3,(H,20,21)