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

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-hexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-(1-hexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-(1-hexyl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-hexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-(1-hexylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)OCC)C

Isomeric SMILES

CCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)OCC)/C

InChI

InChI=1S/C30H38N2O4/c1-4-6-7-10-18-32-19-17-25-22-24(15-16-27(25)32)23(3)21-29(33)31-26-12-8-9-13-28(26)36-20-11-14-30(34)35-5-2/h8-9,12-13,15-17,19,21-22H,4-7,10-11,14,18,20H2,1-3H3,(H,31,33)/b23-21+