(phenylmethyl) 4-[6-[(6-methoxy-4-methyl-quinolin-8-yl)amino]hexyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[6-[(6-methoxy-4-methyl-quinolin-8-yl)amino]hexyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[6-[(6-methoxy-4-methyl-8-quinolyl)amino]hexyl]piperazine-1-carboxylate CAS Name: 4-[6-[(6-methoxy-4-methyl-8-quinolinyl)amino]hexyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazine-1-carboxylate Traditional Name: 4-[6-[(6-methoxy-4-methyl-8-quinolyl)amino]hexyl]piperazine-1-carboxylic acid benzyl ester Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCN3CCN(CC3)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCN3CCN(CC3)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H38N4O3/c1-23-12-14-31-28-26(23)20-25(35-2)21-27(28)30-13-8-3-4-9-15-32-16-18-33(19-17-32)29(34)36-22-24-10-6-5-7-11-24/h5-7,10-12,14,20-21,30H,3-4,8-9,13,15-19,22H2,1-2H3