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

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-butan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-(1-sec-butylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-(1-butan-2-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-butan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-(1-sec-butylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-5-21(4)30-16-15-23-19-22(13-14-25(23)30)20(3)18-27(31)29-24-10-7-8-11-26(24)34-17-9-12-28(32)33-6-2/h7-8,10-11,13-16,18-19,21H,5-6,9,12,17H2,1-4H3,(H,29,31)/b20-18+