2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-(pyridin-3-ylcarbamoylamino)benzoic acid

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-(pyridin-3-ylcarbamoylamino)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-5-(3-pyridylcarbamoylamino)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-5-[[oxo-(3-pyridinylamino)methyl]amino]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-(pyridin-3-ylcarbamoylamino)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-5-(3-pyridylcarbamoylamino)benzoic acid Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O4/c1-17(19-9-8-18-5-2-3-6-20(18)14-19)13-25(32)31-24-11-10-21(15-23(24)26(33)34)29-27(35)30-22-7-4-12-28-16-22/h2-16H,1H3,(H,31,32)(H,33,34)(H2,29,30,35)/b17-13-