2-[[(E)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[1-(1-naphthylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[1-(1-naphthalenylmethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[1-(1-naphthylmethyl)indol-3-yl]acryloyl]amino]benzoic acid Formula: C30H21N3O3 MolecularWeight: 471.50604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)C=C(C#N)C(=O)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)/C=C(\C#N)/C(=O)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H21N3O3/c31-17-22(29(34)32-27-14-5-3-13-26(27)30(35)36)16-23-19-33(28-15-6-4-12-25(23)28)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2,(H,32,34)(H,35,36)/b22-16+