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

Systemtic Name: ethyl 4-[3-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[3-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[3-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[3-[[(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(=CC=C3)OCCCC(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O4/c1-5-10-27(11-6-2)33-18-17-25-21-24(15-16-29(25)33)23(4)20-30(34)32-26-12-8-13-28(22-26)37-19-9-14-31(35)36-7-3/h8,12-13,15-18,20-22,27H,5-7,9-11,14,19H2,1-4H3,(H,32,34)/b23-20+