2-dimethylaminoethyl 4-(butylamino)benzoate; pyridine-3-carboxylic acid

Systemtic Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; pyridine-3-carboxylic acid Openeye Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; nicotinic acid CAS Name: 4-(butylamino)benzoic acid 2-dimethylaminoethyl ester; 3-pyridinecarboxylic acid IUPAC Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; pyridine-3-carboxylic acid Traditional Name: 4-(butylamino)benzoic acid 2-dimethylaminoethyl ester; nicotinic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C15H24N2O2.C6H5NO2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;8-6(9)5-2-1-3-7-4-5/h6-9,16H,4-5,10-12H2,1-3H3;1-4H,(H,8,9)