butyl 2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: butyl 2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: butyl 2-[3-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[3-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 2-[3-(dimethylamino)propyl]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[3-(dimethylamino)propyl]-1-keto-isoquinoline-4-carboxylic acid butyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCCN(C)C

Isomeric SMILES

CCCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCCN(C)C

InChI

InChI=1S/C19H26N2O3/c1-4-5-13-24-19(23)17-14-21(12-8-11-20(2)3)18(22)16-10-7-6-9-15(16)17/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3