2-[5-methoxy-2-methyl-3-[4-[2-(4-methylpiperazin-1-yl)ethoxycarbonyl]phenyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-3-[4-[2-(4-methylpiperazin-1-yl)ethoxycarbonyl]phenyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-3-[4-[2-(4-methylpiperazin-1-yl)ethoxycarbonyl]phenyl]indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-3-[4-[2-(4-methyl-1-piperazinyl)ethoxy-oxomethyl]phenyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-3-[4-[2-(4-methylpiperazin-1-yl)ethoxycarbonyl]phenyl]indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-3-[4-[2-(4-methylpiperazino)ethoxycarbonyl]phenyl]indol-3-yl]acetic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(CC(=O)O)C3=CC=C(C=C3)C(=O)OCCN4CCN(CC4)C)C=C(C=C2)OC

Isomeric SMILES

CC1=NC2=C(C1(CC(=O)O)C3=CC=C(C=C3)C(=O)OCCN4CCN(CC4)C)C=C(C=C2)OC

InChI

InChI=1S/C26H31N3O5/c1-18-26(17-24(30)31,22-16-21(33-3)8-9-23(22)27-18)20-6-4-19(5-7-20)25(32)34-15-14-29-12-10-28(2)11-13-29/h4-9,16H,10-15,17H2,1-3H3,(H,30,31)