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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O4/c1-5-9-14-28(13-6-2)35-21-20-27-23-26(18-19-30(27)35)25(7-3)24-32(36)34-29-15-10-11-16-31(29)39-22-12-17-33(37)38-8-4/h10-11,15-16,18-21,23-24,28H,5-9,12-14,17,22H2,1-4H3,(H,34,36)/b25-24+