[2-[[14-[(8-acetyloxyquinolin-2-yl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-yl] ethanoate

Systemtic Name: [2-[[14-[(8-acetyloxyquinolin-2-yl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-yl] ethanoate Openeye Name: [2-[[14-[(8-acetoxy-2-quinolyl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]-8-quinolyl] acetate CAS Name: acetic acid [2-[[14-[(8-acetyloxy-2-quinolinyl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]-8-quinolinyl] ester IUPAC Name: [2-[[14-[(8-acetyloxyquinolin-2-yl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-yl] acetate Traditional Name: acetic acid [2-[[14-[(8-acetoxy-2-quinolyl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]-8-quinolyl] ester Formula: C37H48N6O4S MolecularWeight: 672.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1N=C(C=C2)CN3CCN(CCCN(CCN(CCSCC3)CC4=NC5=C(C=CC=C5OC(=O)C)C=C4)C)C

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1N=C(C=C2)CN3CCN(CCCN(CCN(CCSCC3)CC4=NC5=C(C=CC=C5OC(=O)C)C=C4)C)C

InChI

InChI=1S/C37H48N6O4S/c1-28(44)46-34-10-5-8-30-12-14-32(38-36(30)34)26-42-20-18-40(3)16-7-17-41(4)19-21-43(23-25-48-24-22-42)27-33-15-13-31-9-6-11-35(37(31)39-33)47-29(2)45/h5-6,8-15H,7,16-27H2,1-4H3