2-(1H-indol-3-ylmethyl)-2-(phenylmethoxycarbonylamino)propanedioic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-2-(phenylmethoxycarbonylamino)propanedioic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)propanedioic acid CAS Name: 2-(1H-indol-3-ylmethyl)-2-(phenylmethoxycarbonylamino)propanedioic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-2-(phenylmethoxycarbonylamino)propanedioic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)malonic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H18N2O6/c23-17(24)20(18(25)26,10-14-11-21-16-9-5-4-8-15(14)16)22-19(27)28-12-13-6-2-1-3-7-13/h1-9,11,21H,10,12H2,(H,22,27)(H,23,24)(H,25,26)