[3-methoxy-4-[4-[[(2-methoxyphenyl)amino]methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate

Systemtic Name: [3-methoxy-4-[4-[[(2-methoxyphenyl)amino]methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate Openeye Name: [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate CAS Name: cyclopropanesulfonic acid [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate Traditional Name: cyclopropanesulfonic acid [4-[2,2-dimethyl-4-(o-anisidinomethyl)-1H-quinolin-6-yl]-3-methoxy-phenyl] ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C=C(C=C3)OS(=O)(=O)C4CC4)OC)CNC5=CC=CC=C5OC)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C=C(C=C3)OS(=O)(=O)C4CC4)OC)CNC5=CC=CC=C5OC)C

InChI

InChI=1S/C29H32N2O5S/c1-29(2)17-20(18-30-26-7-5-6-8-27(26)34-3)24-15-19(9-14-25(24)31-29)23-13-10-21(16-28(23)35-4)36-37(32,33)22-11-12-22/h5-10,13-17,22,30-31H,11-12,18H2,1-4H3