2-[[(E)-2-benzamido-3-(1-methylindol-3-yl)prop-2-enoyl]-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-(1-methylindol-3-yl)prop-2-enoyl]-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(1-methylindol-3-yl)prop-2-enoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(1-methyl-3-indolyl)-1-oxoprop-2-enyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(1-methylindol-3-yl)prop-2-enoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(1-methylindol-3-yl)acryloyl]-methyl-amino]-3-phenyl-propionic acid Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C(\C(=O)N(C)C(CC3=CC=CC=C3)C(=O)O)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O4/c1-31-19-22(23-15-9-10-16-25(23)31)18-24(30-27(33)21-13-7-4-8-14-21)28(34)32(2)26(29(35)36)17-20-11-5-3-6-12-20/h3-16,18-19,26H,17H2,1-2H3,(H,30,33)(H,35,36)/b24-18+