3-[2,5-bis(ethoxycarbonyl)-1H-indol-3-yl]propanoate

Systemtic Name: 3-[2,5-bis(ethoxycarbonyl)-1H-indol-3-yl]propanoate Openeye Name: 3-[2,5-bis(ethoxycarbonyl)-1H-indol-3-yl]propanoate CAS Name: 3-[2,5-bis(ethoxycarbonyl)-1H-indol-3-yl]propanoate IUPAC Name: 3-[2,5-bis(ethoxycarbonyl)-1H-indol-3-yl]propanoate Traditional Name: 3-(2,5-dicarbethoxy-1H-indol-3-yl)propionate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C2CCC(=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C2CCC(=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H19NO6/c1-3-23-16(21)10-5-7-13-12(9-10)11(6-8-14(19)20)15(18-13)17(22)24-4-2/h5,7,9,18H,3-4,6,8H2,1-2H3,(H,19,20)/p-1