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

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]hex-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxohex-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]hex-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O4/c1-5-12-25(26-18-19-30-27(23-26)20-21-35(30)28(13-6-2)14-7-3)24-32(36)34-29-15-9-10-16-31(29)39-22-11-17-33(37)38-8-4/h9-10,15-16,18-21,23-24,28H,5-8,11-14,17,22H2,1-4H3,(H,34,36)/b25-24+