4-(hydroxymethyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(hydroxymethyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(hydroxymethyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-(hydroxymethyl)-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(hydroxymethyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-methylol-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)CO)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)CO)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H19NO4/c1-14(17-8-7-16-4-2-3-5-18(16)12-17)10-21(25)23-20-11-15(13-24)6-9-19(20)22(26)27/h2-12,24H,13H2,1H3,(H,23,25)(H,26,27)/b14-10-