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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O4/c1-5-10-22(4)31-17-16-24-20-23(14-15-26(24)31)21(3)19-28(32)30-25-11-7-8-12-27(25)35-18-9-13-29(33)34-6-2/h7-8,11-12,14-17,19-20,22H,5-6,9-10,13,18H2,1-4H3,(H,30,32)/b21-19+