2-diethylaminoethyl 4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]benzoate CAS Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]benzoate Traditional Name: 4-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]benzoic acid 2-diethylaminoethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=NC=C2CO)C)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=NC=C2CO)C)O

InChI

InChI=1S/C21H29N3O4/c1-4-24(5-2)10-11-28-21(27)16-6-8-18(9-7-16)23-13-19-17(14-25)12-22-15(3)20(19)26/h6-9,12,23,25-26H,4-5,10-11,13-14H2,1-3H3