2-[(2-benzamido-2-cyclohexylidene-ethanoyl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(2-benzamido-2-cyclohexylidene-ethanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2-benzamido-2-cyclohexylidene-acetyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(2-benzamido-2-cyclohexylidene-1-oxoethyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-benzamido-2-cyclohexylideneacetyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2-benzamido-2-cyclohexylidene-acetyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4)CC1

Isomeric SMILES

C1CCC(=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4)CC1

InChI

InChI=1S/C26H27N3O4/c30-24(18-11-5-2-6-12-18)29-23(17-9-3-1-4-10-17)25(31)28-22(26(32)33)15-19-16-27-21-14-8-7-13-20(19)21/h2,5-8,11-14,16,22,27H,1,3-4,9-10,15H2,(H,28,31)(H,29,30)(H,32,33)