2-phenoxy-3-[1-(phenylmethyl)indol-5-yl]-2-(prop-2-enoylamino)butanoic acid

Systemtic Name: 2-phenoxy-3-[1-(phenylmethyl)indol-5-yl]-2-(prop-2-enoylamino)butanoic acid Openeye Name: 3-(1-benzylindol-5-yl)-2-phenoxy-2-(prop-2-enoylamino)butanoic acid CAS Name: 2-(1-oxoprop-2-enylamino)-2-phenoxy-3-[1-(phenylmethyl)-5-indolyl]butanoic acid IUPAC Name: 3-(1-benzylindol-5-yl)-2-phenoxy-2-(prop-2-enoylamino)butanoic acid Traditional Name: 2-acrylamido-3-(1-benzylindol-5-yl)-2-phenoxy-butyric acid Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C(C(=O)O)(NC(=O)C=C)OC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C(C(=O)O)(NC(=O)C=C)OC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4/c1-3-26(31)29-28(27(32)33,34-24-12-8-5-9-13-24)20(2)22-14-15-25-23(18-22)16-17-30(25)19-21-10-6-4-7-11-21/h3-18,20H,1,19H2,2H3,(H,29,31)(H,32,33)