3-(1-octyl-5-phenylmethoxy-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-(1-octyl-5-phenylmethoxy-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-(5-benzyloxy-1-octyl-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-(1-octyl-5-phenylmethoxy-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-(1-octyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-(5-benzoxy-1-octyl-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C4=CC(=O)NC4=O

Isomeric SMILES

CCCCCCCCN1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C4=CC(=O)NC4=O

InChI

InChI=1S/C27H30N2O3/c1-2-3-4-5-6-10-15-29-18-24(23-17-26(30)28-27(23)31)22-16-21(13-14-25(22)29)32-19-20-11-8-7-9-12-20/h7-9,11-14,16-18H,2-6,10,15,19H2,1H3,(H,28,30,31)