2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(4-methoxyphenyl)piperazino]acetic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(C3=CN(C4=C3C=C(C=C4)OC)CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(C3=CN(C4=C3C=C(C=C4)OC)CC(=O)O)C(=O)O

InChI

InChI=1S/C24H27N3O6/c1-32-17-5-3-16(4-6-17)25-9-11-26(12-10-25)23(24(30)31)20-14-27(15-22(28)29)21-8-7-18(33-2)13-19(20)21/h3-8,13-14,23H,9-12,15H2,1-2H3,(H,28,29)(H,30,31)