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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-[1-(carboxymethyl)-5-methoxyindol-3-yl]acetic acid Traditional Name: 2-(4-benzylpiperazino)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C24H27N3O5/c1-32-18-7-8-21-19(13-18)20(15-27(21)16-22(28)29)23(24(30)31)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13,15,23H,9-12,14,16H2,1H3,(H,28,29)(H,30,31)