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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-methylallyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(2-methylprop-2-enyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-methylallyl)piperazino]acetic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

InChI

InChI=1S/C21H27N3O5/c1-14(2)11-22-6-8-23(9-7-22)20(21(27)28)17-12-24(13-19(25)26)18-5-4-15(29-3)10-16(17)18/h4-5,10,12,20H,1,6-9,11,13H2,2-3H3,(H,25,26)(H,27,28)