3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-5-phenylmethoxy-1H-indole-2-carboxylate

Systemtic Name: 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-5-phenylmethoxy-1H-indole-2-carboxylate Openeye Name: 5-benzyloxy-3-[3-(1,3-dioxoisoindolin-2-yl)propyl]-1H-indole-2-carboxylate CAS Name: 3-[3-(1,3-dioxo-2-isoindolyl)propyl]-5-phenylmethoxy-1H-indole-2-carboxylate IUPAC Name: 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-phenylmethoxy-1H-indole-2-carboxylate Traditional Name: 5-benzoxy-3-(3-phthalimidopropyl)-1H-indole-2-carboxylate Formula: C27H21N2O5- MolecularWeight: 453.46604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCN4C(=O)C5=CC=CC=C5C4=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCN4C(=O)C5=CC=CC=C5C4=O)C(=O)[O-]

InChI

InChI=1S/C27H22N2O5/c30-25-20-9-4-5-10-21(20)26(31)29(25)14-6-11-19-22-15-18(34-16-17-7-2-1-3-8-17)12-13-23(22)28-24(19)27(32)33/h1-5,7-10,12-13,15,28H,6,11,14,16H2,(H,32,33)/p-1