ethyl 4-[2-[[(E)-3-(1-heptylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-heptylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-(1-heptylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-(1-heptyl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-heptylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-(1-heptylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)OCC)C

Isomeric SMILES

CCCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)OCC)/C

InChI

InChI=1S/C31H40N2O4/c1-4-6-7-8-11-19-33-20-18-26-23-25(16-17-28(26)33)24(3)22-30(34)32-27-13-9-10-14-29(27)37-21-12-15-31(35)36-5-2/h9-10,13-14,16-18,20,22-23H,4-8,11-12,15,19,21H2,1-3H3,(H,32,34)/b24-22+