2-[[(E)-but-2-enoyl]amino]-2-phenoxy-3-(1-undecan-6-ylindol-5-yl)butanoic acid

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-2-phenoxy-3-(1-undecan-6-ylindol-5-yl)butanoic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(1-pentylhexyl)indol-5-yl]-2-phenoxy-butanoic acid CAS Name: 2-[[(E)-1-oxobut-2-enyl]amino]-2-phenoxy-3-(1-undecan-6-yl-5-indolyl)butanoic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-2-phenoxy-3-(1-undecan-6-ylindol-5-yl)butanoic acid Traditional Name: 3-[1-(1-amylhexyl)indol-5-yl]-2-[[(E)-but-2-enoyl]amino]-2-phenoxy-butyric acid Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)O)(NC(=O)C=CC)OC3=CC=CC=C3

Isomeric SMILES

CCCCCC(CCCCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)O)(NC(=O)/C=C/C)OC3=CC=CC=C3

InChI

InChI=1S/C33H44N2O4/c1-5-8-11-16-28(17-12-9-6-2)35-23-22-27-24-26(20-21-30(27)35)25(4)33(32(37)38,34-31(36)15-7-3)39-29-18-13-10-14-19-29/h7,10,13-15,18-25,28H,5-6,8-9,11-12,16-17H2,1-4H3,(H,34,36)(H,37,38)/b15-7+