4-[2-[[(Z)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(Z)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(Z)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(Z)-3-(1-cyclohexyl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(Z)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(Z)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1OCCCC(=O)O)C2=CC3=C(C=C2)N(C=C3)C4CCCCC4

Isomeric SMILES

C/C(=C/C(=O)NC1=CC=CC=C1OCCCC(=O)O)/C2=CC3=C(C=C2)N(C=C3)C4CCCCC4

InChI

InChI=1S/C28H32N2O4/c1-20(18-27(31)29-24-10-5-6-11-26(24)34-17-7-12-28(32)33)21-13-14-25-22(19-21)15-16-30(25)23-8-3-2-4-9-23/h5-6,10-11,13-16,18-19,23H,2-4,7-9,12,17H2,1H3,(H,29,31)(H,32,33)/b20-18-