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

Systemtic Name: ethyl 4-[4-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[4-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[4-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[4-[[(E)-3-[1-(1-propylbutyl)indol-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:

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=C(C=C3)OCCCC(=O)OCC)C

Isomeric SMILES

CCCC(CCC)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=C(C=C3)OCCCC(=O)OCC)/C

InChI

InChI=1S/C31H40N2O4/c1-5-9-27(10-6-2)33-19-18-25-22-24(12-17-29(25)33)23(4)21-30(34)32-26-13-15-28(16-14-26)37-20-8-11-31(35)36-7-3/h12-19,21-22,27H,5-11,20H2,1-4H3,(H,32,34)/b23-21+