2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)acryloyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O4/c1-33(2)22-14-12-19(13-15-22)16-25(31-27(34)20-8-4-3-5-9-20)28(35)32-26(29(36)37)17-21-18-30-24-11-7-6-10-23(21)24/h3-16,18,26,30H,17H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)/b25-16+