2-(dibutylamino)ethyl 1-(2,3-dimethylphenyl)isoquinoline-4-carboxylate

Systemtic Name: 2-(dibutylamino)ethyl 1-(2,3-dimethylphenyl)isoquinoline-4-carboxylate Openeye Name: 2-(dibutylamino)ethyl 1-(2,3-dimethylphenyl)isoquinoline-4-carboxylate CAS Name: 1-(2,3-dimethylphenyl)-4-isoquinolinecarboxylic acid 2-(dibutylamino)ethyl ester IUPAC Name: 2-(dibutylamino)ethyl 1-(2,3-dimethylphenyl)isoquinoline-4-carboxylate Traditional Name: 1-(2,3-dimethylphenyl)isoquinoline-4-carboxylic acid 2-(dibutylamino)ethyl ester Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCOC(=O)C1=CN=C(C2=CC=CC=C21)C3=C(C(=CC=C3)C)C

Isomeric SMILES

CCCCN(CCCC)CCOC(=O)C1=CN=C(C2=CC=CC=C21)C3=C(C(=CC=C3)C)C

InChI

InChI=1S/C28H36N2O2/c1-5-7-16-30(17-8-6-2)18-19-32-28(31)26-20-29-27(25-14-10-9-13-24(25)26)23-15-11-12-21(3)22(23)4/h9-15,20H,5-8,16-19H2,1-4H3