ethyl 3-(3-butylisoquinolin-4-yl)carbonylbenzoate

Systemtic Name: ethyl 3-(3-butylisoquinolin-4-yl)carbonylbenzoate Openeye Name: ethyl 3-(3-butylisoquinoline-4-carbonyl)benzoate CAS Name: 3-[(3-butyl-4-isoquinolinyl)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-butylisoquinoline-4-carbonyl)benzoate Traditional Name: 3-(3-butylisoquinoline-4-carbonyl)benzoic acid ethyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C=N1)C(=O)C3=CC(=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C=N1)C(=O)C3=CC(=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H23NO3/c1-3-5-13-20-21(19-12-7-6-9-18(19)15-24-20)22(25)16-10-8-11-17(14-16)23(26)27-4-2/h6-12,14-15H,3-5,13H2,1-2H3