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

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-pentylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-(1-pentylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-1-oxo-3-(1-pentyl-5-indolyl)but-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-pentylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-(1-amylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)OCC)C

Isomeric SMILES

CCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)OCC)/C

InChI

InChI=1S/C29H36N2O4/c1-4-6-9-17-31-18-16-24-21-23(14-15-26(24)31)22(3)20-28(32)30-25-11-7-8-12-27(25)35-19-10-13-29(33)34-5-2/h7-8,11-12,14-16,18,20-21H,4-6,9-10,13,17,19H2,1-3H3,(H,30,32)/b22-20+