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

Systemtic Name: 2-[[(E)-2-benzamido-3-(4-methylphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(p-tolyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4-methylphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(p-tolyl)acryloyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H25N3O4/c1-18-11-13-19(14-12-18)15-24(30-26(32)20-7-3-2-4-8-20)27(33)31-25(28(34)35)16-21-17-29-23-10-6-5-9-22(21)23/h2-15,17,25,29H,16H2,1H3,(H,30,32)(H,31,33)(H,34,35)/b24-15+