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

Systemtic Name: ethyl 4-[2-[[(E)-3-[1-(2-methylhexan-3-yl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-[1-(1-isopropylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-[1-(2-methylhexan-3-yl)-5-indolyl]-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-[1-(2-methylhexan-3-yl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-[1-(1-isopropylbutyl)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(C(C)C)N1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)OCC)C

Isomeric SMILES

CCCC(C(C)C)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)OCC)/C

InChI

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