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

Systemtic Name: ethyl 4-[2-[[(E)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[[(E)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate CAS Name: 4-[2-[[(E)-3-(1-cyclohexyl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoate Traditional Name: 4-[2-[[(E)-3-(1-cyclohexylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid ethyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)C=C(C)C2=CC3=C(C=C2)N(C=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)/C=C(\C)/C2=CC3=C(C=C2)N(C=C3)C4CCCCC4

InChI

InChI=1S/C30H36N2O4/c1-3-35-30(34)14-9-19-36-28-13-8-7-12-26(28)31-29(33)20-22(2)23-15-16-27-24(21-23)17-18-32(27)25-10-5-4-6-11-25/h7-8,12-13,15-18,20-21,25H,3-6,9-11,14,19H2,1-2H3,(H,31,33)/b22-20+