3-methoxy-4-[[3-[[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-octanoyl-amino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[3-[[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-octanoyl-amino]indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[3-[[(E)-3-methoxy-3-oxo-prop-1-enyl]-octanoyl-amino]indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[3-[[(E)-3-methoxy-3-oxoprop-1-enyl]-(1-oxooctyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[3-[[(E)-3-methoxy-3-oxoprop-1-enyl]-octanoylamino]indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-[caprylyl-[(E)-3-keto-3-methoxy-prop-1-enyl]amino]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(C=CC(=O)OC)C1=CN(C2=CC=CC=C21)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCCCC(=O)N(/C=C/C(=O)OC)C1=CN(C2=CC=CC=C21)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C29H34N2O6/c1-4-5-6-7-8-13-27(32)31(17-16-28(33)37-3)25-20-30(24-12-10-9-11-23(24)25)19-22-15-14-21(29(34)35)18-26(22)36-2/h9-12,14-18,20H,4-8,13,19H2,1-3H3,(H,34,35)/b17-16+