2-azanyl-5-[[(E)-3-naphthalen-2-ylbut-2-enoyl]-pentyl-amino]benzoic acid

Systemtic Name: 2-azanyl-5-[[(E)-3-naphthalen-2-ylbut-2-enoyl]-pentyl-amino]benzoic acid Openeye Name: 2-amino-5-[[(E)-3-(2-naphthyl)but-2-enoyl]-pentyl-amino]benzoic acid CAS Name: 2-amino-5-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]-pentylamino]benzoic acid IUPAC Name: 2-amino-5-[[(E)-3-naphthalen-2-ylbut-2-enoyl]-pentylamino]benzoic acid Traditional Name: 2-amino-5-[amyl-[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC(=C(C=C1)N)C(=O)O)C(=O)C=C(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCN(C1=CC(=C(C=C1)N)C(=O)O)C(=O)/C=C(\C)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H28N2O3/c1-3-4-7-14-28(22-12-13-24(27)23(17-22)26(30)31)25(29)15-18(2)20-11-10-19-8-5-6-9-21(19)16-20/h5-6,8-13,15-17H,3-4,7,14,27H2,1-2H3,(H,30,31)/b18-15+