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

Systemtic Name: [3-methoxy-4-[4-[[(2-methoxyphenyl)amino]methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] propane-1-sulfonate Openeye Name: [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-[2,2-dimethyl-4-(o-anisidinomethyl)-1H-quinolin-6-yl]-3-methoxy-phenyl] ester Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(C=C3CNC4=CC=CC=C4OC)(C)C)OC

Isomeric SMILES

CCCS(=O)(=O)OC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(C=C3CNC4=CC=CC=C4OC)(C)C)OC

InChI

InChI=1S/C29H34N2O5S/c1-6-15-37(32,33)36-22-12-13-23(28(17-22)35-5)20-11-14-25-24(16-20)21(18-29(2,3)31-25)19-30-26-9-7-8-10-27(26)34-4/h7-14,16-18,30-31H,6,15,19H2,1-5H3