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

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxopent-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C32H42N2O4 MolecularWeight: 518.68688

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O4/c1-5-12-27(13-6-2)34-20-19-26-22-25(17-18-29(26)34)24(7-3)23-31(35)33-28-14-9-10-15-30(28)38-21-11-16-32(36)37-8-4/h9-10,14-15,17-20,22-23,27H,5-8,11-13,16,21H2,1-4H3,(H,33,35)/b24-23+