[5-(dimethylaminomethyl)-2,3-di(propan-2-yl)quinolin-6-yl] 2-methylhexanoate

Systemtic Name: [5-(dimethylaminomethyl)-2,3-di(propan-2-yl)quinolin-6-yl] 2-methylhexanoate Openeye Name: [5-(dimethylaminomethyl)-2,3-diisopropyl-6-quinolyl] 2-methylhexanoate CAS Name: 2-methylhexanoic acid [5-(dimethylaminomethyl)-2,3-di(propan-2-yl)-6-quinolinyl] ester IUPAC Name: [5-(dimethylaminomethyl)-2,3-di(propan-2-yl)quinolin-6-yl] 2-methylhexanoate Traditional Name: 2-methylhexanoic acid [5-(dimethylaminomethyl)-2,3-diisopropyl-6-quinolyl] ester Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)OC1=C(C2=CC(=C(N=C2C=C1)C(C)C)C(C)C)CN(C)C

Isomeric SMILES

CCCCC(C)C(=O)OC1=C(C2=CC(=C(N=C2C=C1)C(C)C)C(C)C)CN(C)C

InChI

InChI=1S/C25H38N2O2/c1-9-10-11-18(6)25(28)29-23-13-12-22-20(21(23)15-27(7)8)14-19(16(2)3)24(26-22)17(4)5/h12-14,16-18H,9-11,15H2,1-8H3