3-azanylpropyl 3-ethyl-2-[3-(hydroxymethyl)-2,4-bis(oxidanyl)phenyl]benzoate

Systemtic Name: 3-azanylpropyl 3-ethyl-2-[3-(hydroxymethyl)-2,4-bis(oxidanyl)phenyl]benzoate Openeye Name: 3-aminopropyl 2-[2,4-dihydroxy-3-(hydroxymethyl)phenyl]-3-ethyl-benzoate CAS Name: 2-[2,4-dihydroxy-3-(hydroxymethyl)phenyl]-3-ethylbenzoic acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl 2-[2,4-dihydroxy-3-(hydroxymethyl)phenyl]-3-ethylbenzoate Traditional Name: 2-(2,4-dihydroxy-3-methylol-phenyl)-3-ethyl-benzoic acid 3-aminopropyl ester Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C2=C(C(=C(C=C2)O)CO)O)C(=O)OCCCN

Isomeric SMILES

CCC1=CC=CC(=C1C2=C(C(=C(C=C2)O)CO)O)C(=O)OCCCN

InChI

InChI=1S/C19H23NO5/c1-2-12-5-3-6-14(19(24)25-10-4-9-20)17(12)13-7-8-16(22)15(11-21)18(13)23/h3,5-8,21-23H,2,4,9-11,20H2,1H3