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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyridin-4-ylcarbamoyl)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(4-pyridylcarbamoyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo-(pyridin-4-ylamino)methyl]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyridin-4-ylcarbamoyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(4-pyridylcarbamoyl)benzoic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=NC=C2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=NC=C2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H21N3O4/c1-17(19-7-6-18-4-2-3-5-20(18)15-19)14-25(31)30-24-16-21(8-9-23(24)27(33)34)26(32)29-22-10-12-28-13-11-22/h2-16H,1H3,(H,30,31)(H,33,34)(H,28,29,32)/b17-14-